1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one

C150H150F6N12O13S6 — CID 167553187

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

1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one (PubChem CID 167553187) has the molecular formula C150H150F6N12O13S6 and a molecular weight of 2635.31 g/mol. Its IUPAC name is 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one
• PubChem CID: 167553187
• Molecular Formula: C150H150F6N12O13S6
• Molecular Weight: 2635.31 g/mol
• Exact Mass: 2632.97
• IUPAC Name: 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one
• SMILES: C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4SC(F)(F)F)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1NC(C)=O)n2[C@H]1CCC[C@@H](CC(=O)c2csc(C)c2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1OC)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1SC(F)(F)F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)o2)C1
• InChI: InChI=1S/C31H27F3N2O2S2.C31H33N3O3S.C30H29F3N2O2S2.C30H32N2O3S.C28H29N3O3/c1-3-22-13-15-29(39-22)27(38)17-19-8-7-9-21(16-19)36-25-14-12-20(26(37)4-2)18-24(25)35-30(36)23-10-5-6-11-28(23)40-31(32,33)34;1-4-29(36)22-12-13-28-27(17-22)33-31(25-10-5-6-11-26(25)32-20(3)35)34(28)24-9-7-8-21(15-24)16-30(37)23-14-19(2)38-18-23;1-3-25(36)20-12-13-24-23(17-20)34-29(22-9-4-5-10-27(22)39-30(31,32)33)35(24)21-8-6-7-19(15-21)16-26(37)28-14-11-18(2)38-28;1-4-26(33)21-13-14-25-24(18-21)31-30(23-10-5-6-11-28(23)35-3)32(25)22-9-7-8-20(16-22)17-27(34)29-15-12-19(2)36-29;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/h1,5-6,10-15,18-19,21H,4,7-9,16-17H2,2H3;5-6,10-14,17-18,21,24H,4,7-9,15-16H2,1-3H3,(H,32,35);4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;5-6,10-15,18,20,22H,4,7-9,16-17H2,1-3H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3/t19-,21+;21-,24+;19-,21+;20-,22+;19-,21+/m11110/s1
• InChIKey: CRDXKOOSFQJRDD-BUKAGGCGSA-N
• XLogP: 40.14
• TPSA: 324.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 39
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2635.31
LogP ≤ 5	40.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one?

The IUPAC name of 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one (CID 167553187) is 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one.

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

The canonical SMILES for 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4SC(F)(F)F)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1NC(C)=O)n2[C@H]1CCC[C@@H](CC(=O)c2csc(C)c2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1OC)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1SC(F)(F)F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)o2)C1.

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

The InChIKey is CRDXKOOSFQJRDD-BUKAGGCGSA-N. The full InChI is InChI=1S/C31H27F3N2O2S2.C31H33N3O3S.C30H29F3N2O2S2.C30H32N2O3S.C28H29N3O3/c1-3-22-13-15-29(39-22)27(38)17-19-8-7-9-21(16-19)36-25-14-12-20(26(37)4-2)18-24(25)35-30(36)23-10-5-6-11-28(23)40-31(32,33)34;1-4-29(36)22-12-13-28-27(17-22)33-31(25-10-5-6-11-26(25)32-20(3)35)34(28)24-9-7-8-21(15-24)16-30(37)23-14-19(2)38-18-23;1-3-25(36)20-12-13-24-23(17-20)34-29(22-9-4-5-10-27(22)39-30(31,32)33)35(24)21-8-6-7-19(15-21)16-26(37)28-14-11-18(2)38-28;1-4-26(33)21-13-14-25-24(18-21)31-30(23-10-5-6-11-28(23)35-3)32(25)22-9-7-8-20(16-22)17-27(34)29-15-12-19(2)36-29;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/h1,5-6,10-15,18-19,21H,4,7-9,16-17H2,2H3;5-6,10-14,17-18,21,24H,4,7-9,15-16H2,1-3H3,(H,32,35);4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;5-6,10-15,18,20,22H,4,7-9,16-17H2,1-3H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3/t19-,21+;21-,24+;19-,21+;20-,22+;19-,21+/m11110/s1.

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

1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one has a molecular weight of 2635.31 g/mol, XLogP of 40.14, 39 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167553187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).