1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one

C146H135F7N12O12S5 — CID 167646356

About 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one

1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one (PubChem CID 167646356) has the molecular formula C146H135F7N12O12S5 and a molecular weight of 2543.08 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one
• PubChem CID: 167646356
• Molecular Formula: C146H135F7N12O12S5
• Molecular Weight: 2543.08 g/mol
• Exact Mass: 2540.88
• IUPAC Name: 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one
• SMILES: C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(F)cccc4F)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(O)cccc4F)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccc(O)cn4)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1cc(F)ccc1F)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(F)cc1F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1
• InChI: InChI=1S/C30H26F2N2O2S.C30H27FN2O3S.C29H28F2N2O2S.C29H27N3O3S.C28H27F2N3O2S/c1-3-21-12-14-28(37-21)27(36)16-18-7-5-8-20(15-18)34-25-13-11-19(26(35)4-2)17-24(25)33-30(34)29-22(31)9-6-10-23(29)32;1-3-21-12-14-28(37-21)27(36)16-18-7-5-8-20(15-18)33-24-13-11-19(25(34)4-2)17-23(24)32-30(33)29-22(31)9-6-10-26(29)35;1-3-26(34)19-8-11-25-24(15-19)32-29(22-10-9-20(30)16-23(22)31)33(25)21-6-4-5-18(13-21)14-27(35)28-12-7-17(2)36-28;1-3-22-10-13-28(36-22)27(35)15-18-6-5-7-20(14-18)32-25-12-8-19(26(34)4-2)16-24(25)31-29(32)23-11-9-21(33)17-30-23;1-3-25(34)17-8-11-24-23(13-17)32-27(21-14-18(29)9-10-22(21)30)33(24)20-6-4-5-19(15-20)31-28(35)26-12-7-16(2)36-26/h1,6,9-14,17-18,20H,4-5,7-8,15-16H2,2H3;1,6,9-14,17-18,20,35H,4-5,7-8,15-16H2,2H3;7-12,15-16,18,21H,3-6,13-14H2,1-2H3;1,8-13,16-18,20,33H,4-7,14-15H2,2H3;7-14,19-20H,3-6,15H2,1-2H3,(H,31,35)/t2*18-,20+;18-,21+;18-,20+;19-,20+/m11111/s1
• InChIKey: PXROXANSITYDEC-LOSRNYFMSA-N
• XLogP: 36.06
• TPSA: 325.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2543.08
LogP ≤ 5	36.06
H-Bond Donors ≤ 5	3
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-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one?

The IUPAC name of 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one (CID 167646356) is 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one.

What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one?

The canonical SMILES for 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(F)cccc4F)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(O)cccc4F)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccc(O)cn4)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1cc(F)ccc1F)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(F)cc1F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.

What is the InChIKey of 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one?

The InChIKey is PXROXANSITYDEC-LOSRNYFMSA-N. The full InChI is InChI=1S/C30H26F2N2O2S.C30H27FN2O3S.C29H28F2N2O2S.C29H27N3O3S.C28H27F2N3O2S/c1-3-21-12-14-28(37-21)27(36)16-18-7-5-8-20(15-18)34-25-13-11-19(26(35)4-2)17-24(25)33-30(34)29-22(31)9-6-10-23(29)32;1-3-21-12-14-28(37-21)27(36)16-18-7-5-8-20(15-18)33-24-13-11-19(25(34)4-2)17-23(24)32-30(33)29-22(31)9-6-10-26(29)35;1-3-26(34)19-8-11-25-24(15-19)32-29(22-10-9-20(30)16-23(22)31)33(25)21-6-4-5-18(13-21)14-27(35)28-12-7-17(2)36-28;1-3-22-10-13-28(36-22)27(35)15-18-6-5-7-20(14-18)32-25-12-8-19(26(34)4-2)16-24(25)31-29(32)23-11-9-21(33)17-30-23;1-3-25(34)17-8-11-24-23(13-17)32-27(21-14-18(29)9-10-22(21)30)33(24)20-6-4-5-19(15-20)31-28(35)26-12-7-16(2)36-26/h1,6,9-14,17-18,20H,4-5,7-8,15-16H2,2H3;1,6,9-14,17-18,20,35H,4-5,7-8,15-16H2,2H3;7-12,15-16,18,21H,3-6,13-14H2,1-2H3;1,8-13,16-18,20,33H,4-7,14-15H2,2H3;7-14,19-20H,3-6,15H2,1-2H3,(H,31,35)/t2*18-,20+;18-,21+;18-,20+;19-,20+/m11111/s1.

What are the key properties of 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one?

1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one has a molecular weight of 2543.08 g/mol, XLogP of 36.06, 34 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,6-difluorophenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(2,4-difluorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[(1R,3S)-3-[2-(2,5-difluorophenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(5-hydroxy-2-pyridinyl)benzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167646356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).