1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea

C85H85N25O8 — CID 157284114

IUPAC1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(C(=O)C3CCCC3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)CCc3ccccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)c3cn(C)cn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)c3nccn3CC)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C23H22N6O2.C21H21N7O2.C21H23N5O2.C20H19N7O2/c1-2-25-23(31)29-22-27-19-13-16(15-6-5-10-24-14-15)12-18(21(19)28-22)20(30)9-8-17-7-3-4-11-26-17;1-3-23-21(30)27-20-25-16-11-14(13-6-5-7-22-12-13)10-15(17(16)26-20)18(29)19-24-8-9-28(19)4-2;1-2-23-21(28)26-20-24-17-11-15(14-8-5-9-22-12-14)10-16(18(17)25-20)19(27)13-6-3-4-7-13;1-3-22-20(29)26-19-24-15-8-13(12-5-4-6-21-9-12)7-14(17(15)25-19)18(28)16-10-27(2)11-23-16/h3-7,10-14H,2,8-9H2,1H3,(H3,25,27,28,29,31);5-12H,3-4H2,1-2H3,(H3,23,25,26,27,30);5,8-13H,2-4,6-7H2,1H3,(H3,23,24,25,26,28);4-11H,3H2,1-2H3,(H3,22,24,25,26,29)
InChIKeyBAAGSOGHJFWGMX-UHFFFAOYSA-N
MW1584.78 g/mol
LogP14.06
Rot. Bonds23

About 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea

1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea (PubChem CID 157284114) has the molecular formula C85H85N25O8 and a molecular weight of 1584.78 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea
PubChem CID157284114
Molecular FormulaC85H85N25O8
Molecular Weight1584.78 g/mol
Exact Mass1583.70
IUPAC Name1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(C(=O)C3CCCC3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)CCc3ccccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)c3cn(C)cn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)c3nccn3CC)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C23H22N6O2.C21H21N7O2.C21H23N5O2.C20H19N7O2/c1-2-25-23(31)29-22-27-19-13-16(15-6-5-10-24-14-15)12-18(21(19)28-22)20(30)9-8-17-7-3-4-11-26-17;1-3-23-21(30)27-20-25-16-11-14(13-6-5-7-22-12-13)10-15(17(16)26-20)18(29)19-24-8-9-28(19)4-2;1-2-23-21(28)26-20-24-17-11-15(14-8-5-9-22-12-14)10-16(18(17)25-20)19(27)13-6-3-4-7-13;1-3-22-20(29)26-19-24-15-8-13(12-5-4-6-21-9-12)7-14(17(15)25-19)18(28)16-10-27(2)11-23-16/h3-7,10-14H,2,8-9H2,1H3,(H3,25,27,28,29,31);5-12H,3-4H2,1-2H3,(H3,23,25,26,27,30);5,8-13H,2-4,6-7H2,1H3,(H3,23,24,25,26,28);4-11H,3H2,1-2H3,(H3,22,24,25,26,29)
InChIKeyBAAGSOGHJFWGMX-UHFFFAOYSA-N
XLogP14.06
TPSA447.61 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001584.78
LogP ≤ 514.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea with MolForge

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Related Compounds

4-[[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-2-carbonyl]piperazin-1-yl]methyl]-1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1H-indol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
CID 134342469
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157053327
1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157255418
1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157255986
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 157294126
1-ethyl-5-fluoro-N-(5-fluoro-3-pyridinyl)indole-3-carboxamide;1-(1-ethyl-5-fluoroindol-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone;1-(1-ethyl-5-fluoroindol-3-yl)-2-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone;1-ethyl-5-fluoro-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;5-fluoro-N-(5-fluoro-3-pyridinyl)-1-propan-2-ylindole-3-carboxamide;5-fluoro-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide
CID 157300408
2-[4-[5-(tert-butylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[6-(methylcarbamoyl)pyridazin-3-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(methylcarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;isocyanic acid
CID 157545322
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157686479
5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157988375
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide
CID 158029926
5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158222114
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione
CID 158400376

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea (CID 157284114) is 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(C(=O)C3CCCC3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)CCc3ccccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)c3cn(C)cn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)c3nccn3CC)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea?
The InChIKey is BAAGSOGHJFWGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2.C21H21N7O2.C21H23N5O2.C20H19N7O2/c1-2-25-23(31)29-22-27-19-13-16(15-6-5-10-24-14-15)12-18(21(19)28-22)20(30)9-8-17-7-3-4-11-26-17;1-3-23-21(30)27-20-25-16-11-14(13-6-5-7-22-12-13)10-15(17(16)26-20)18(29)19-24-8-9-28(19)4-2;1-2-23-21(28)26-20-24-17-11-15(14-8-5-9-22-12-14)10-16(18(17)25-20)19(27)13-6-3-4-7-13;1-3-22-20(29)26-19-24-15-8-13(12-5-4-6-21-9-12)7-14(17(15)25-19)18(28)16-10-27(2)11-23-16/h3-7,10-14H,2,8-9H2,1H3,(H3,25,27,28,29,31);5-12H,3-4H2,1-2H3,(H3,23,25,26,27,30);5,8-13H,2-4,6-7H2,1H3,(H3,23,24,25,26,28);4-11H,3H2,1-2H3,(H3,22,24,25,26,29).
What are the key properties of 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea?
1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea has a molecular weight of 1584.78 g/mol, XLogP of 14.06, 23 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazole-4-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(3-pyridin-2-ylpropanoyl)-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 157284114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).