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[ CAS No. 1792-41-2 ]

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3d Animation Molecule Structure of 1792-41-2
Chemical Structure| 1792-41-2
Chemical Structure| 1792-41-2
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Product Details of [ 1792-41-2 ]

CAS No. :1792-41-2 MDL No. :MFCD00125906
Formula : C9H10N2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :146.19 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of of [ 1792-41-2 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.22
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 46.03
TPSA : 28.68 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.49
Log Po/w (XLOGP3) : 2.25
Log Po/w (WLOGP) : 2.18
Log Po/w (MLOGP) : 1.63
Log Po/w (SILICOS-IT) : 2.95
Consensus Log Po/w : 2.1

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.77
Solubility : 0.249 mg/ml ; 0.0017 mol/l
Class : Soluble
Log S (Ali) : -2.49
Solubility : 0.475 mg/ml ; 0.00325 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.66
Solubility : 0.0318 mg/ml ; 0.000217 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.32

Safety of [ 1792-41-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 UN#:
Hazard Statements:H302-H312-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1792-41-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1792-41-2 ]

[ 1792-41-2 ] Synthesis Path-Downstream   1~31

  • 1
  • [ 60-35-5 ]
  • [ 636-24-8 ]
  • [ 1792-41-2 ]
YieldReaction ConditionsOperation in experiment
at 180℃; im Rohr;
  • 2
  • [ 155221-39-9 ]
  • [ 1792-41-2 ]
YieldReaction ConditionsOperation in experiment
beim Erhitzen;
  • 3
  • [ 24780-84-5 ]
  • [ 1792-41-2 ]
YieldReaction ConditionsOperation in experiment
beim Erhitzen;
  • 4
  • [ 2818-63-5 ]
  • [ 1792-41-2 ]
YieldReaction ConditionsOperation in experiment
beim Erhitzen zum Sieden;
  • 5
  • [ 1034250-03-7 ]
  • [ 1792-41-2 ]
YieldReaction ConditionsOperation in experiment
beim Erhitzen zum Sieden;
  • 6
  • [ 612-45-3 ]
  • [ 1792-41-2 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; tin
With iron; acetic acid
With palladium on activated charcoal; ethanol at 30℃; Hydrogenation;
Multi-step reaction with 2 steps 1: palladium; ethanol / Hydrogenation 2: Erhitzen auf Temperaturen oberhalb des Schmelzpunktes
Multi-step reaction with 2 steps 1: iron; acetic acid 2: 200 - 210 °C
Multi-step reaction with 2 steps 1: ammonium sulfide 2: 150 °C
Multi-step reaction with 2 steps 1: water; alcohol; acetic acid / gibt Eisenspaene in der Loesung 2: beim Destillieren

  • 9
  • [ 85-44-9 ]
  • [ 1792-41-2 ]
  • [ 63786-63-0 ]
YieldReaction ConditionsOperation in experiment
at 200℃;
  • 10
  • [ 1792-41-2 ]
  • [ 100-52-7 ]
  • [ 189056-67-5 ]
YieldReaction ConditionsOperation in experiment
at 200℃;
at 200℃;
  • 11
  • [ 1792-41-2 ]
  • [ 100-44-7 ]
  • [ 53811-91-9 ]
YieldReaction ConditionsOperation in experiment
With ethanol; sodium ethanolate
  • 12
  • [ 1792-41-2 ]
  • [ 75-03-6 ]
  • [ 1034250-03-7 ]
  • 1,3-diethyl-2,5-dimethyl-benzimidazolium; periodide [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 150℃; im Rohr;
  • 13
  • [ 1792-41-2 ]
  • [ 75-03-6 ]
  • 1,3-diethyl-2,5-dimethyl-benzimidazolium; periodide [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 200 - 230℃; im Rohr;
  • 14
  • [ 1792-41-2 ]
  • [ 75-87-6 ]
  • 2,2,2-trichloro-1-(2,5-dimethyl-benzimidazol-1-yl)-ethanol [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 100℃; im Rohr;
  • 15
  • [ 1792-41-2 ]
  • [ 105-39-5 ]
  • (2,5-dimethyl-benzimidazol-1-yl)-acetic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium ethanolate
  • 16
  • [ 1792-41-2 ]
  • [ 67-64-1 ]
  • 2-(2,5-dimethyl-benzimidazol-1-yl)-propane-2-sulfonic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sulfur dioxide
  • 17
  • [ 1792-41-2 ]
  • [ 77-78-1 ]
  • [ 155221-39-9 ]
  • 18
  • [ 1792-41-2 ]
  • [ 74-88-4 ]
  • [ 155221-39-9 ]
  • [ 24780-84-5 ]
YieldReaction ConditionsOperation in experiment
With methanol at 20℃;
  • 19
  • [ 1792-41-2 ]
  • [ 74-88-4 ]
  • [ 21337-19-9 ]
YieldReaction ConditionsOperation in experiment
With methanol at 20℃;
With methanol at 120 - 130℃; im Rohr;
  • 20
  • [ 1792-41-2 ]
  • 4,5,7-trichloro-2,6-dimethyl-1(3)<i>H</i>-benzimidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; calcium chloride
  • 22
  • [ 1792-41-2 ]
  • [ 96048-73-6 ]
YieldReaction ConditionsOperation in experiment
With acetic acid; calcium chloride at 0 - 5℃;
  • 24
  • [ 1792-41-2 ]
  • 4-bromo-2,5-dimethyl-1(3)<i>H</i>-benzimidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
With bromine; acetic acid
With carbon disulfide; bromine
With chloroform; bromine
  • 26
  • [ 5433-07-8 ]
  • [ 1792-41-2 ]
YieldReaction ConditionsOperation in experiment
bei der Destillation;
  • 27
  • [ 39623-57-9 ]
  • [ 1792-41-2 ]
  • [ 141-78-6 ]
YieldReaction ConditionsOperation in experiment
at 107 - 116℃;
  • 28
  • [ 108-24-7 ]
  • [ 496-72-0 ]
  • [ 1792-41-2 ]
YieldReaction ConditionsOperation in experiment
With sodium acetate
  • 29
  • [ 75-07-0 ]
  • [ 496-72-0 ]
  • [ 1034250-03-7 ]
  • [ 1792-41-2 ]
YieldReaction ConditionsOperation in experiment
With acetic acid
  • 31
  • [ 496-72-0 ]
  • [ 75-36-5 ]
  • [ 1792-41-2 ]
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