1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one

C147H155N11O10S8 — CID 167542485

About 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one

1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one (PubChem CID 167542485) has the molecular formula C147H155N11O10S8 and a molecular weight of 2492.46 g/mol. Its IUPAC name is 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
• PubChem CID: 167542485
• Molecular Formula: C147H155N11O10S8
• Molecular Weight: 2492.46 g/mol
• Exact Mass: 2489.97
• IUPAC Name: 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
• SMILES: C#Cc1cccc(-c2nc3cc(C(=O)CC)ccc3n2[C@H]2CCC[C@@H](CC(=O)c3ccc(C)s3)C2)c1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(C)cc1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(C)s1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1csc3c1CCCC3)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1sccc1C)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1
• InChI: InChI=1S/C31H30N2O2S.C30H33N3O2S2.C30H32N2O2S.2C28H30N2O2S2/c1-4-21-8-6-10-24(16-21)31-32-26-19-23(28(34)5-2)13-14-27(26)33(31)25-11-7-9-22(17-25)18-29(35)30-15-12-20(3)36-30;1-3-26(34)19-12-13-25-24(15-19)32-29(23-17-36-27-10-5-4-9-22(23)27)33(25)21-8-6-7-20(16-21)31-30(35)28-14-11-18(2)37-28;1-4-27(33)23-13-14-26-25(18-23)31-30(22-11-8-19(2)9-12-22)32(26)24-7-5-6-21(16-24)17-28(34)29-15-10-20(3)35-29;1-4-24(31)20-10-11-23-22(16-20)29-28(27-13-9-18(3)34-27)30(23)21-7-5-6-19(14-21)15-25(32)26-12-8-17(2)33-26;1-4-24(31)20-9-10-23-22(16-20)29-28(27-17(2)12-13-33-27)30(23)21-7-5-6-19(14-21)15-25(32)26-11-8-18(3)34-26/h1,6,8,10,12-16,19,22,25H,5,7,9,11,17-18H2,2-3H3;11-15,17,20-21H,3-10,16H2,1-2H3,(H,31,35);8-15,18,21,24H,4-7,16-17H2,1-3H3;2*8-13,16,19,21H,4-7,14-15H2,1-3H3/t22-,25+;20-,21+;21-,24+;2*19-,21+/m11111/s1
• InChIKey: BJJFXQCYDRLGSM-ROEWOHHKSA-N
• XLogP: 39.23
• TPSA: 271.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.46
LogP ≤ 5	39.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?

The IUPAC name of 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one (CID 167542485) is 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one.

What is the SMILES notation for 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?

The canonical SMILES for 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one is C#Cc1cccc(-c2nc3cc(C(=O)CC)ccc3n2[C@H]2CCC[C@@H](CC(=O)c3ccc(C)s3)C2)c1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(C)cc1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(C)s1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1csc3c1CCCC3)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1sccc1C)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.

What is the InChIKey of 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?

The InChIKey is BJJFXQCYDRLGSM-ROEWOHHKSA-N. The full InChI is InChI=1S/C31H30N2O2S.C30H33N3O2S2.C30H32N2O2S.2C28H30N2O2S2/c1-4-21-8-6-10-24(16-21)31-32-26-19-23(28(34)5-2)13-14-27(26)33(31)25-11-7-9-22(17-25)18-29(35)30-15-12-20(3)36-30;1-3-26(34)19-12-13-25-24(15-19)32-29(23-17-36-27-10-5-4-9-22(23)27)33(25)21-8-6-7-20(16-21)31-30(35)28-14-11-18(2)37-28;1-4-27(33)23-13-14-26-25(18-23)31-30(22-11-8-19(2)9-12-22)32(26)24-7-5-6-21(16-24)17-28(34)29-15-10-20(3)35-29;1-4-24(31)20-10-11-23-22(16-20)29-28(27-13-9-18(3)34-27)30(23)21-7-5-6-19(14-21)15-25(32)26-12-8-17(2)33-26;1-4-24(31)20-9-10-23-22(16-20)29-28(27-17(2)12-13-33-27)30(23)21-7-5-6-19(14-21)15-25(32)26-11-8-18(3)34-26/h1,6,8,10,12-16,19,22,25H,5,7,9,11,17-18H2,2-3H3;11-15,17,20-21H,3-10,16H2,1-2H3,(H,31,35);8-15,18,21,24H,4-7,16-17H2,1-3H3;2*8-13,16,19,21H,4-7,14-15H2,1-3H3/t22-,25+;20-,21+;21-,24+;2*19-,21+/m11111/s1.

What are the key properties of 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one?

1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one has a molecular weight of 2492.46 g/mol, XLogP of 39.23, 34 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[2-(3-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-methylthiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167542485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).