(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide

C127H150Cl3FN18O12 — CID 157245238

About (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide

(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide (PubChem CID 157245238) has the molecular formula C127H150Cl3FN18O12 and a molecular weight of 2246.07 g/mol. Its IUPAC name is (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide.

Molecular Properties

• Compound Name: (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide
• PubChem CID: 157245238
• Molecular Formula: C127H150Cl3FN18O12
• Molecular Weight: 2246.07 g/mol
• Exact Mass: 2243.07
• IUPAC Name: (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide
• SMILES: CC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.CC1(F)CCC(C(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)C1.C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1.C[C@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1.Cc1ccc([C@@](C)(O)CC(=O)Nc2nc3ccc(Cl)cc3n2C2CCC2)cc1.Cc1ccc2nc(NC(=O)CC(O)(C3CC3)C3CC3)n(C3CCC3)c2c1
• InChI: InChI=1S/C22H24ClN3O2.2C21H22ClN3O2.C21H28FN3O2.2C21H27N3O2/c1-14-6-8-15(9-7-14)22(2,28)13-20(27)25-21-24-18-11-10-16(23)12-19(18)26(21)17-4-3-5-17;2*1-21(27,14-6-3-2-4-7-14)13-19(26)24-20-23-17-11-10-15(22)12-18(17)25(20)16-8-5-9-16;1-20(2,27)14-7-8-16-17(11-14)25(15-5-4-6-15)19(23-16)24-18(26)13-9-10-21(3,22)12-13;1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-13-5-10-17-18(11-13)24(16-3-2-4-16)20(22-17)23-19(25)12-21(26,14-6-7-14)15-8-9-15/h6-12,17,28H,3-5,13H2,1-2H3,(H,24,25,27);2*2-4,6-7,10-12,16,27H,5,8-9,13H2,1H3,(H,23,24,26);7-8,11,13,15,27H,4-6,9-10,12H2,1-3H3,(H,23,24,26);7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);5,10-11,14-16,26H,2-4,6-9,12H2,1H3,(H,22,23,25)/t22-;2*21-;;;/m010.../s1
• InChIKey: AVRKBMAHTWLTSA-NAVTXDFASA-N
• XLogP: 26.78
• TPSA: 402.90 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.07
LogP ≤ 5	26.78
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide?

The IUPAC name of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide (CID 157245238) is (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide.

What is the SMILES notation for (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide?

The canonical SMILES for (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide is CC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.CC1(F)CCC(C(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)C1.C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1.C[C@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1.Cc1ccc([C@@](C)(O)CC(=O)Nc2nc3ccc(Cl)cc3n2C2CCC2)cc1.Cc1ccc2nc(NC(=O)CC(O)(C3CC3)C3CC3)n(C3CCC3)c2c1.

What is the InChIKey of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide?

The InChIKey is AVRKBMAHTWLTSA-NAVTXDFASA-N. The full InChI is InChI=1S/C22H24ClN3O2.2C21H22ClN3O2.C21H28FN3O2.2C21H27N3O2/c1-14-6-8-15(9-7-14)22(2,28)13-20(27)25-21-24-18-11-10-16(23)12-19(18)26(21)17-4-3-5-17;2*1-21(27,14-6-3-2-4-7-14)13-19(26)24-20-23-17-11-10-15(22)12-18(17)25(20)16-8-5-9-16;1-20(2,27)14-7-8-16-17(11-14)25(15-5-4-6-15)19(23-16)24-18(26)13-9-10-21(3,22)12-13;1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-13-5-10-17-18(11-13)24(16-3-2-4-16)20(22-17)23-19(25)12-21(26,14-6-7-14)15-8-9-15/h6-12,17,28H,3-5,13H2,1-2H3,(H,24,25,27);2*2-4,6-7,10-12,16,27H,5,8-9,13H2,1H3,(H,23,24,26);7-8,11,13,15,27H,4-6,9-10,12H2,1-3H3,(H,23,24,26);7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);5,10-11,14-16,26H,2-4,6-9,12H2,1H3,(H,22,23,25)/t22-;2*21-;;;/m010.../s1.

What are the key properties of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide?

(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide has a molecular weight of 2246.07 g/mol, XLogP of 26.78, 29 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide is sourced from PubChem (CID 157245238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).