N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one

C143H134ClF11N12O10S4 — CID 167583521

About N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one

N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one (PubChem CID 167583521) has the molecular formula C143H134ClF11N12O10S4 and a molecular weight of 2553.42 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
• PubChem CID: 167583521
• Molecular Formula: C143H134ClF11N12O10S4
• Molecular Weight: 2553.42 g/mol
• Exact Mass: 2550.87
• IUPAC Name: N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
• SMILES: CCC(=O)c1cc2nc(-c3cccc(F)c3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3cccc(F)c3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(F)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(F)s4)C3)c2cc1F.CCC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2ccccc2Cl)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1C(F)F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1
• InChI: InChI=1S/C30H30F2N2O2S.C29H28F2N2O2S.C28H26ClFN4O2.2C28H25F3N2O2S/c1-3-26(35)20-12-13-25-24(17-20)33-30(23-10-5-4-9-22(23)29(31)32)34(25)21-8-6-7-19(15-21)16-27(36)28-14-11-18(2)37-28;1-3-26(34)22-15-24-25(16-23(22)31)33(29(32-24)19-7-5-8-20(30)14-19)21-9-4-6-18(12-21)13-27(35)28-11-10-17(2)36-28;1-2-26(35)18-12-13-25-24(16-18)31-27(19-7-5-8-20(30)15-19)34(25)21-9-6-14-33(17-21)28(36)32-23-11-4-3-10-22(23)29;1-2-24(34)20-14-22-23(15-21(20)30)33(28(32-22)17-6-4-7-18(29)13-17)19-8-3-5-16(11-19)12-25(35)26-9-10-27(31)36-26;1-2-24(34)19-14-22-23(15-21(19)30)33(28(32-22)18-8-3-4-9-20(18)29)17-7-5-6-16(12-17)13-25(35)26-10-11-27(31)36-26/h4-5,9-14,17,19,21,29H,3,6-8,15-16H2,1-2H3;5,7-8,10-11,14-16,18,21H,3-4,6,9,12-13H2,1-2H3;3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,32,36);4,6-7,9-10,13-16,19H,2-3,5,8,11-12H2,1H3;3-4,8-11,14-17H,2,5-7,12-13H2,1H3/t19-,21+;18-,21+;;16-,19+;16-,17+/m11.11/s1
• InChIKey: HMJOGNKJSLGTOL-UPKZLBROSA-N
• XLogP: 39.07
• TPSA: 275.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2553.42
LogP ≤ 5	39.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?

The IUPAC name of N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one (CID 167583521) is N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one.

What is the SMILES notation for N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?

The canonical SMILES for N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one is CCC(=O)c1cc2nc(-c3cccc(F)c3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3cccc(F)c3)n([C@H]3CCC[C@@H](CC(=O)c4ccc(F)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(F)s4)C3)c2cc1F.CCC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2ccccc2Cl)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1C(F)F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.

What is the InChIKey of N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?

The InChIKey is HMJOGNKJSLGTOL-UPKZLBROSA-N. The full InChI is InChI=1S/C30H30F2N2O2S.C29H28F2N2O2S.C28H26ClFN4O2.2C28H25F3N2O2S/c1-3-26(35)20-12-13-25-24(17-20)33-30(23-10-5-4-9-22(23)29(31)32)34(25)21-8-6-7-19(15-21)16-27(36)28-14-11-18(2)37-28;1-3-26(34)22-15-24-25(16-23(22)31)33(29(32-24)19-7-5-8-20(30)14-19)21-9-4-6-18(12-21)13-27(35)28-11-10-17(2)36-28;1-2-26(35)18-12-13-25-24(16-18)31-27(19-7-5-8-20(30)15-19)34(25)21-9-6-14-33(17-21)28(36)32-23-11-4-3-10-22(23)29;1-2-24(34)20-14-22-23(15-21(20)30)33(28(32-22)17-6-4-7-18(29)13-17)19-8-3-5-16(11-19)12-25(35)26-9-10-27(31)36-26;1-2-24(34)19-14-22-23(15-21(19)30)33(28(32-22)18-8-3-4-9-20(18)29)17-7-5-6-16(12-17)13-25(35)26-10-11-27(31)36-26/h4-5,9-14,17,19,21,29H,3,6-8,15-16H2,1-2H3;5,7-8,10-11,14-16,18,21H,3-4,6,9,12-13H2,1-2H3;3-5,7-8,10-13,15-16,21H,2,6,9,14,17H2,1H3,(H,32,36);4,6-7,9-10,13-16,19H,2-3,5,8,11-12H2,1H3;3-4,8-11,14-17H,2,5-7,12-13H2,1H3/t19-,21+;18-,21+;;16-,19+;16-,17+/m11.11/s1.

What are the key properties of N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?

N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one has a molecular weight of 2553.42 g/mol, XLogP of 39.07, 34 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]piperidine-1-carboxamide;1-[2-[2-(difluoromethyl)phenyl]-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(2-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-fluorothiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-2-(3-fluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167583521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).