1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one

C145H138N14O11S5 — CID 167563406

About 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one

1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one (PubChem CID 167563406) has the molecular formula C145H138N14O11S5 and a molecular weight of 2413.12 g/mol. Its IUPAC name is 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
• PubChem CID: 167563406
• Molecular Formula: C145H138N14O11S5
• Molecular Weight: 2413.12 g/mol
• Exact Mass: 2410.93
• IUPAC Name: 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
• SMILES: C#Cc1cc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4NC(C)=O)nc4cc(C(=O)CC)ccc43)C2)cs1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4C)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cc(CO)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CC[C@H](n3c(-c4ccccn4)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CC[C@@H](CC(=O)c2ccc(C)s2)C1
• InChI: InChI=1S/C32H31N3O3S.C31H30N2O2S.C28H25N3O2S.C27H27N3O2S.C27H25N3O2S/c1-4-25-17-23(19-39-25)31(38)16-21-9-8-10-24(15-21)35-29-14-13-22(30(37)5-2)18-28(29)34-32(35)26-11-6-7-12-27(26)33-20(3)36;1-4-24-14-16-30(36-24)29(35)18-21-10-8-11-23(17-21)33-27-15-13-22(28(34)5-2)19-26(27)32-31(33)25-12-7-6-9-20(25)3;1-3-21-11-13-27(34-21)26(33)16-18-8-10-20(15-18)31-24-12-9-19(25(32)4-2)17-23(24)30-28(31)22-7-5-6-14-29-22;1-3-24(31)19-9-11-23-22(16-19)29-27(21-6-4-5-13-28-21)30(23)20-10-8-18(14-20)15-25(32)26-12-7-17(2)33-26;1-2-21-10-12-26(33-21)25(32)16-18-6-5-7-20(14-18)30-24-11-9-19(17-31)15-23(24)29-27(30)22-8-3-4-13-28-22/h1,6-7,11-14,17-19,21,24H,5,8-10,15-16H2,2-3H3,(H,33,36);1,6-7,9,12-16,19,21,23H,5,8,10-11,17-18H2,2-3H3;1,5-7,9,11-14,17-18,20H,4,8,10,15-16H2,2H3;4-7,9,11-13,16,18,20H,3,8,10,14-15H2,1-2H3;1,3-4,8-13,15,18,20,31H,5-7,14,16-17H2/t21-,24+;21-,23+;3*18-,20+/m11111/s1
• InChIKey: DYOJAMLBKNPVHQ-KRPGHBRVSA-N
• XLogP: 33.61
• TPSA: 330.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2413.12
LogP ≤ 5	33.61
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-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?

The IUPAC name of 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one (CID 167563406) is 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one.

What is the SMILES notation for 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?

The canonical SMILES for 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one is C#Cc1cc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4NC(C)=O)nc4cc(C(=O)CC)ccc43)C2)cs1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4C)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cc(CO)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CC[C@H](n3c(-c4ccccn4)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CC[C@@H](CC(=O)c2ccc(C)s2)C1.

What is the InChIKey of 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?

The InChIKey is DYOJAMLBKNPVHQ-KRPGHBRVSA-N. The full InChI is InChI=1S/C32H31N3O3S.C31H30N2O2S.C28H25N3O2S.C27H27N3O2S.C27H25N3O2S/c1-4-25-17-23(19-39-25)31(38)16-21-9-8-10-24(15-21)35-29-14-13-22(30(37)5-2)18-28(29)34-32(35)26-11-6-7-12-27(26)33-20(3)36;1-4-24-14-16-30(36-24)29(35)18-21-10-8-11-23(17-21)33-27-15-13-22(28(34)5-2)19-26(27)32-31(33)25-12-7-6-9-20(25)3;1-3-21-11-13-27(34-21)26(33)16-18-8-10-20(15-18)31-24-12-9-19(25(32)4-2)17-23(24)30-28(31)22-7-5-6-14-29-22;1-3-24(31)19-9-11-23-22(16-19)29-27(21-6-4-5-13-28-21)30(23)20-10-8-18(14-20)15-25(32)26-12-7-17(2)33-26;1-2-21-10-12-26(33-21)25(32)16-18-6-5-7-20(14-18)30-24-11-9-19(17-31)15-23(24)29-27(30)22-8-3-4-13-28-22/h1,6-7,11-14,17-19,21,24H,5,8-10,15-16H2,2-3H3,(H,33,36);1,6-7,9,12-16,19,21,23H,5,8,10-11,17-18H2,2-3H3;1,5-7,9,11-14,17-18,20H,4,8,10,15-16H2,2H3;4-7,9,11-13,16,18,20H,3,8,10,14-15H2,1-2H3;1,3-4,8-13,15,18,20,31H,5-7,14,16-17H2/t21-,24+;21-,23+;3*18-,20+/m11111/s1.

What are the key properties of 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?

1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one has a molecular weight of 2413.12 g/mol, XLogP of 33.61, 35 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-ethynylthiophen-2-yl)-2-[(1R,3S)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]ethanone;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167563406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).