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-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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

C116H119FN8O9S6 — CID 167674790

About 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-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)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;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 167674790) has the molecular formula C116H119FN8O9S6 and a molecular weight of 1980.67 g/mol. Its IUPAC name is 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-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)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;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: 167674790
• Molecular Formula: C116H119FN8O9S6
• Molecular Weight: 1980.67 g/mol
• Exact Mass: 1978.74
• IUPAC Name: 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-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(O)cccc4F)nc4cc(C(=O)CC)ccc43)C2)s1.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(-c1sccc1C)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1
• InChI: InChI=1S/C30H27FN2O3S.C30H32N2O2S.2C28H30N2O2S2/c1-3-21-12-14-28(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;1-4-27(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/h1,6,9-14,17-18,20,35H,4-5,7-8,15-16H2,2H3;8-15,18,21,24H,4-7,16-17H2,1-3H3;2*8-13,16,19,21H,4-7,14-15H2,1-3H3/t18-,20+;21-,24+;2*19-,21+/m1111/s1
• InChIKey: UQOFUUROVAYZGY-LOQARCDNSA-N
• XLogP: 31.25
• TPSA: 228.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1980.67
LogP ≤ 5	31.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

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-fluoro-6-hydroxyphenyl)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;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)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;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 167674790) is 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-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)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;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)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;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#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(O)cccc4F)nc4cc(C(=O)CC)ccc43)C2)s1.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(-c1sccc1C)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.

What is the InChIKey of 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-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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 UQOFUUROVAYZGY-LOQARCDNSA-N. The full InChI is InChI=1S/C30H27FN2O3S.C30H32N2O2S.2C28H30N2O2S2/c1-3-21-12-14-28(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;1-4-27(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/h1,6,9-14,17-18,20,35H,4-5,7-8,15-16H2,2H3;8-15,18,21,24H,4-7,16-17H2,1-3H3;2*8-13,16,19,21H,4-7,14-15H2,1-3H3/t18-,20+;21-,24+;2*19-,21+/m1111/s1.

What are the key properties of 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-[2-(4-methylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;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-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-fluoro-6-hydroxyphenyl)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;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 1980.67 g/mol, XLogP of 31.25, 28 rotatable bonds, 1 hydrogen bond donors, and 23 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-fluoro-6-hydroxyphenyl)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;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 167674790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).