1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile

C147H144ClF3N12O14S5 — CID 167706064

About 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile

1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile (PubChem CID 167706064) has the molecular formula C147H144ClF3N12O14S5 and a molecular weight of 2555.62 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile
• PubChem CID: 167706064
• Molecular Formula: C147H144ClF3N12O14S5
• Molecular Weight: 2555.62 g/mol
• Exact Mass: 2552.92
• IUPAC Name: 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile
• SMILES: CCC(=O)c1ccc2c(c1)nc(-c1ccc(C#N)cc1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1O)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1C=O)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CNC(=O)c1ccc2c(c1)nc(-c1ccc3c(c1)OC(F)(F)O3)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1
• InChI: InChI=1S/C30H29N3O2S.C30H30N2O3S.C29H29ClN2O2S.C29H27F2N3O4S.C29H29FN2O3S/c1-3-27(34)23-12-13-26-25(17-23)32-30(22-10-8-20(18-31)9-11-22)33(26)24-6-4-5-21(15-24)16-28(35)29-14-7-19(2)36-29;1-3-27(34)21-12-13-26-25(17-21)31-30(24-10-5-4-8-22(24)18-33)32(26)23-9-6-7-20(15-23)16-28(35)29-14-11-19(2)36-29;1-3-26(33)21-10-13-25-24(17-21)31-29(20-8-11-22(30)12-9-20)32(25)23-6-4-5-19(15-23)16-27(34)28-14-7-18(2)35-28;1-16-6-11-26(39-16)23(35)13-17-4-3-5-20(12-17)34-22-9-7-19(28(36)32-2)14-21(22)33-27(34)18-8-10-24-25(15-18)38-29(30,31)37-24;1-3-25(33)19-11-12-24-23(16-19)31-29(21-8-5-9-22(30)28(21)35)32(24)20-7-4-6-18(14-20)15-26(34)27-13-10-17(2)36-27/h7-14,17,21,24H,3-6,15-16H2,1-2H3;4-5,8,10-14,17-18,20,23H,3,6-7,9,15-16H2,1-2H3;7-14,17,19,23H,3-6,15-16H2,1-2H3;6-11,14-15,17,20H,3-5,12-13H2,1-2H3,(H,32,36);5,8-13,16,18,20,35H,3-4,6-7,14-15H2,1-2H3/t21-,24+;20-,23+;19-,23+;17-,20+;18-,20+/m11111/s1
• InChIKey: ZCVHYIOXHTXSJJ-WPJUVZLESA-N
• XLogP: 37.62
• TPSA: 351.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2555.62
LogP ≤ 5	37.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile?

The IUPAC name of 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile (CID 167706064) is 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile.

What is the SMILES notation for 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile?

The canonical SMILES for 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile is CCC(=O)c1ccc2c(c1)nc(-c1ccc(C#N)cc1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1O)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1C=O)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CNC(=O)c1ccc2c(c1)nc(-c1ccc3c(c1)OC(F)(F)O3)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.

What is the InChIKey of 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile?

The InChIKey is ZCVHYIOXHTXSJJ-WPJUVZLESA-N. The full InChI is InChI=1S/C30H29N3O2S.C30H30N2O3S.C29H29ClN2O2S.C29H27F2N3O4S.C29H29FN2O3S/c1-3-27(34)23-12-13-26-25(17-23)32-30(22-10-8-20(18-31)9-11-22)33(26)24-6-4-5-21(15-24)16-28(35)29-14-7-19(2)36-29;1-3-27(34)21-12-13-26-25(17-21)31-30(24-10-5-4-8-22(24)18-33)32(26)23-9-6-7-20(15-23)16-28(35)29-14-11-19(2)36-29;1-3-26(33)21-10-13-25-24(17-21)31-29(20-8-11-22(30)12-9-20)32(25)23-6-4-5-19(15-23)16-27(34)28-14-7-18(2)35-28;1-16-6-11-26(39-16)23(35)13-17-4-3-5-20(12-17)34-22-9-7-19(28(36)32-2)14-21(22)33-27(34)18-8-10-24-25(15-18)38-29(30,31)37-24;1-3-25(33)19-11-12-24-23(16-19)31-29(21-8-5-9-22(30)28(21)35)32(24)20-7-4-6-18(14-20)15-26(34)27-13-10-17(2)36-27/h7-14,17,21,24H,3-6,15-16H2,1-2H3;4-5,8,10-14,17-18,20,23H,3,6-7,9,15-16H2,1-2H3;7-14,17,19,23H,3-6,15-16H2,1-2H3;6-11,14-15,17,20H,3-5,12-13H2,1-2H3,(H,32,36);5,8-13,16,18,20,35H,3-4,6-7,14-15H2,1-2H3/t21-,24+;20-,23+;19-,23+;17-,20+;18-,20+/m11111/s1.

What are the key properties of 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile?

1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile has a molecular weight of 2555.62 g/mol, XLogP of 37.62, 35 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazole-5-carboxamide;1-[2-(3-fluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzaldehyde;4-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile is sourced from PubChem (CID 167706064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).