1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone

C145H144F3N15O11S5 — CID 167697818

About 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone

1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone (PubChem CID 167697818) has the molecular formula C145H144F3N15O11S5 and a molecular weight of 2490.17 g/mol. Its IUPAC name is 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone
• PubChem CID: 167697818
• Molecular Formula: C145H144F3N15O11S5
• Molecular Weight: 2490.17 g/mol
• Exact Mass: 2487.97
• IUPAC Name: 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone
• SMILES: C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4C(N)=O)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1C(N)=O)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(CC(=O)c2ccc(C3CC3)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.Cc1ccc(C(=O)C[C@H]2CCC[C@@H](n3c(-c4ccccn4)nc4cc(C(F)(F)F)ccc43)C2)s1
• InChI: InChI=1S/C31H29N3O3S.C30H31N3O3S.C30H31N3O2S.C28H29N3O2S.C26H24F3N3OS/c1-3-22-13-15-29(38-22)28(36)17-19-8-7-9-21(16-19)34-26-14-12-20(27(35)4-2)18-25(26)33-31(34)24-11-6-5-10-23(24)30(32)37;1-3-26(34)20-12-13-25-24(17-20)32-30(23-10-5-4-9-22(23)29(31)36)33(25)21-8-6-7-19(15-21)16-27(35)28-14-11-18(2)37-28;1-2-26(34)21-11-12-25-24(18-21)32-30(23-8-3-4-15-31-23)33(25)22-7-5-6-19(16-22)17-27(35)29-14-13-28(36-29)20-9-10-20;1-3-25(32)20-11-12-24-23(17-20)30-28(22-9-4-5-14-29-22)31(24)21-8-6-7-19(15-21)16-26(33)27-13-10-18(2)34-27;1-16-8-11-24(34-16)23(33)14-17-5-4-6-19(13-17)32-22-10-9-18(26(27,28)29)15-21(22)31-25(32)20-7-2-3-12-30-20/h1,5-6,10-15,18-19,21H,4,7-9,16-17H2,2H3,(H2,32,37);4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3,(H2,31,36);3-4,8,11-15,18-20,22H,2,5-7,9-10,16-17H2,1H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;2-3,7-12,15,17,19H,4-6,13-14H2,1H3/t2*19-,21+;;19-,21+;17-,19+/m11.10/s1
• InChIKey: XXTMUCDAGYDFNJ-UVBDMZDZSA-N
• XLogP: 35.40
• TPSA: 367.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2490.17
LogP ≤ 5	35.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone?

The IUPAC name of 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone (CID 167697818) is 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone.

What is the SMILES notation for 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone?

The canonical SMILES for 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4C(N)=O)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1C(N)=O)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(CC(=O)c2ccc(C3CC3)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.Cc1ccc(C(=O)C[C@H]2CCC[C@@H](n3c(-c4ccccn4)nc4cc(C(F)(F)F)ccc43)C2)s1.

What is the InChIKey of 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone?

The InChIKey is XXTMUCDAGYDFNJ-UVBDMZDZSA-N. The full InChI is InChI=1S/C31H29N3O3S.C30H31N3O3S.C30H31N3O2S.C28H29N3O2S.C26H24F3N3OS/c1-3-22-13-15-29(38-22)28(36)17-19-8-7-9-21(16-19)34-26-14-12-20(27(35)4-2)18-25(26)33-31(34)24-11-6-5-10-23(24)30(32)37;1-3-26(34)20-12-13-25-24(17-20)32-30(23-10-5-4-9-22(23)29(31)36)33(25)21-8-6-7-19(15-21)16-27(35)28-14-11-18(2)37-28;1-2-26(34)21-11-12-25-24(18-21)32-30(23-8-3-4-15-31-23)33(25)22-7-5-6-19(16-22)17-27(35)29-14-13-28(36-29)20-9-10-20;1-3-25(32)20-11-12-24-23(17-20)30-28(22-9-4-5-14-29-22)31(24)21-8-6-7-19(15-21)16-26(33)27-13-10-18(2)34-27;1-16-8-11-24(34-16)23(33)14-17-5-4-6-19(13-17)32-22-10-9-18(26(27,28)29)15-21(22)31-25(32)20-7-2-3-12-30-20/h1,5-6,10-15,18-19,21H,4,7-9,16-17H2,2H3,(H2,32,37);4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3,(H2,31,36);3-4,8,11-15,18-20,22H,2,5-7,9-10,16-17H2,1H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;2-3,7-12,15,17,19H,4-6,13-14H2,1H3/t2*19-,21+;;19-,21+;17-,19+/m11.10/s1.

What are the key properties of 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone?

1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone has a molecular weight of 2490.17 g/mol, XLogP of 35.40, 36 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[2-(5-cyclopropylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone is sourced from PubChem (CID 167697818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).