Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 55750-06-6 | MDL No. : | MFCD00013161 |
Formula : | C25H32N6O5 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AFGQXWSHYUHHNV-UHFFFAOYSA-N |
M.W : | 496.56 | Pubchem ID : | 9983292 |
Synonyms : |
Imidocarb (propionate)
|
Chemical Name : | 1,3-Bis(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)urea dipropionate |
Num. heavy atoms : | 36 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.32 |
Num. rotatable bonds : | 8 |
Num. H-bond acceptors : | 7.0 |
Num. H-bond donors : | 6.0 |
Molar Refractivity : | 154.16 |
TPSA : | 164.51 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -8.67 cm/s |
Log Po/w (iLOGP) : | 4.09 |
Log Po/w (XLOGP3) : | 0.93 |
Log Po/w (WLOGP) : | 1.09 |
Log Po/w (MLOGP) : | 2.43 |
Log Po/w (SILICOS-IT) : | 3.01 |
Consensus Log Po/w : | 2.31 |
Lipinski : | 2.0 |
Ghose : | None |
Veber : | 1.0 |
Egan : | 1.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.17 |
Log S (ESOL) : | -3.22 |
Solubility : | 0.297 mg/ml ; 0.000598 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.97 |
Solubility : | 0.0531 mg/ml ; 0.000107 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -6.76 |
Solubility : | 0.0000867 mg/ml ; 0.000000175 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 3.82 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | Packing Group: | N/A |
GHS Pictogram: |
* 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.
A1551481[ ]
Imidocarb dihydrochloride monohydrate
Reason: Different form
A729129[ 27885-92-3 ]
1,3-Bis(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)urea
Reason: Free-salt
[ 2963-77-1 ]
4-(1H-Benzo[d]imidazol-2-yl)aniline
Similarity: 0.67
[ 936-49-2 ]
2-Phenyl-4,5-dihydro-1H-imidazole
Similarity: 0.67
[ 13676-49-8 ]
2-(3-Aminophenyl)-1H-benzo[d]imidazol-6-amine
Similarity: 0.65
[ 2622-63-1 ]
1-Methyl-2-phenyl-1H-benzo[d]imidazole
Similarity: 0.64
[ 223376-47-4 ]
1H-Pyrrolo[2,3-b]pyridine-2-carboxamide
Similarity: 0.62
[ 59341-68-3 ]
6-Methyl-2-(pyridin-4-yl)pyrimidin-4(3H)-one
Similarity: 0.62
[ 16328-62-4 ]
1H-Imidazo[4,5-b]pyridin-2(3H)-one
Similarity: 0.60
[ 1290541-46-6 ]
(E)-3-Benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4(3H)-one
Similarity: 0.59
[ 492445-92-8 ]
2-(4-(2-Oxoimidazolidin-1-yl)phenyl)acetic acid
Similarity: 0.59
[ 681136-29-8 ]
N-Phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
Similarity: 0.58
[ 3564-73-6 ]
10,11-Dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
Similarity: 0.52
[ 2963-77-1 ]
4-(1H-Benzo[d]imidazol-2-yl)aniline
Similarity: 0.67
[ 13676-49-8 ]
2-(3-Aminophenyl)-1H-benzo[d]imidazol-6-amine
Similarity: 0.65
[ 223376-47-4 ]
1H-Pyrrolo[2,3-b]pyridine-2-carboxamide
Similarity: 0.62
[ 1373253-21-4 ]
1H-Pyrrolo[2,3-b]pyridin-4-amine acetate
Similarity: 0.62
[ 39861-21-7 ]
4-(5-Chloro-1H-benzo[d]imidazol-2-yl)aniline
Similarity: 0.60
[ 316833-32-6 ]
2-(Pyridin-4-yl)-1H-benzo[d]imidazole-6-carboxylic acid
Similarity: 0.68
[ 872355-55-0 ]
6-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
Similarity: 0.62
[ 669070-64-8 ]
2-(Pyridin-2-yl)-1H-benzo[d]imidazole-6-carboxylic acid
Similarity: 0.62
[ 152628-03-0 ]
4-Methyl-2-propyl-1H-benzo[d]imidazole-6-carboxylic acid
Similarity: 0.61
[ 136818-50-3 ]
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid
Similarity: 0.61
[ 492445-92-8 ]
2-(4-(2-Oxoimidazolidin-1-yl)phenyl)acetic acid
Similarity: 0.59
[ 1218-35-5 ]
2-(4-(tert-Butyl)-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole hydrochloride
Similarity: 0.52
[ 1253924-71-8 ]
2-(4-(Trifluoromethoxy)phenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
Similarity: 0.52
[ 936-49-2 ]
2-Phenyl-4,5-dihydro-1H-imidazole
Similarity: 0.67
[ 1218-35-5 ]
2-(4-(tert-Butyl)-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole hydrochloride
Similarity: 0.52
[ 1253924-71-8 ]
2-(4-(Trifluoromethoxy)phenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
Similarity: 0.52
[ 221529-58-4 ]
N-(4-(4-Isopropoxybenzyl)phenyl)-4,5-dihydro-1H-imidazol-2-amine
Similarity: 0.51