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

C146H138ClF2N15O13S5 — CID 167620548

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

2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile (PubChem CID 167620548) has the molecular formula C146H138ClF2N15O13S5 and a molecular weight of 2544.59 g/mol. Its IUPAC name is 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile
• PubChem CID: 167620548
• Molecular Formula: C146H138ClF2N15O13S5
• Molecular Weight: 2544.59 g/mol
• Exact Mass: 2541.89
• IUPAC Name: 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile
• SMILES: C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccc(C#N)c(Cl)n4)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccc(F)cc4O)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1c(O)cccc1F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(O)cn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ncccc1C#N)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1
• InChI: InChI=1S/C30H25ClN4O2S.C30H27FN2O3S.C29H29FN2O3S.C29H28N4O2S.C28H29N3O3S/c1-3-22-10-13-28(38-22)27(37)15-18-6-5-7-21(14-18)35-25-12-9-19(26(36)4-2)16-24(25)34-30(35)23-11-8-20(17-32)29(31)33-23;1-3-22-10-13-29(37-22)28(36)15-18-6-5-7-21(14-18)33-25-12-8-19(26(34)4-2)16-24(25)32-30(33)23-11-9-20(31)17-27(23)35;1-3-24(33)19-11-12-23-22(16-19)31-29(28-21(30)8-5-9-25(28)34)32(23)20-7-4-6-18(14-20)15-26(35)27-13-10-17(2)36-27;1-3-25(34)20-10-11-24-23(16-20)32-29(28-21(17-30)7-5-13-31-28)33(24)22-8-4-6-19(14-22)15-26(35)27-12-9-18(2)36-27;1-3-25(33)19-8-11-24-23(15-19)30-28(22-10-9-21(32)16-29-22)31(24)20-6-4-5-18(13-20)14-26(34)27-12-7-17(2)35-27/h1,8-13,16,18,21H,4-7,14-15H2,2H3;1,8-13,16-18,21,35H,4-7,14-15H2,2H3;5,8-13,16,18,20,34H,3-4,6-7,14-15H2,1-2H3;5,7,9-13,16,19,22H,3-4,6,8,14-15H2,1-2H3;7-12,15-16,18,20,32H,3-6,13-14H2,1-2H3/t2*18-,21+;18-,20+;19-,22+;18-,20+/m11111/s1
• InChIKey: MJMXPUCDAZAPKG-JRHGRBSSSA-N
• XLogP: 35.67
• TPSA: 406.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2544.59
LogP ≤ 5	35.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile?

The IUPAC name of 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile (CID 167620548) is 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile.

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

The canonical SMILES for 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccc(C#N)c(Cl)n4)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccc(F)cc4O)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1c(O)cccc1F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(O)cn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ncccc1C#N)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.

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

The InChIKey is MJMXPUCDAZAPKG-JRHGRBSSSA-N. The full InChI is InChI=1S/C30H25ClN4O2S.C30H27FN2O3S.C29H29FN2O3S.C29H28N4O2S.C28H29N3O3S/c1-3-22-10-13-28(38-22)27(37)15-18-6-5-7-21(14-18)35-25-12-9-19(26(36)4-2)16-24(25)34-30(35)23-11-8-20(17-32)29(31)33-23;1-3-22-10-13-29(37-22)28(36)15-18-6-5-7-21(14-18)33-25-12-8-19(26(34)4-2)16-24(25)32-30(33)23-11-9-20(31)17-27(23)35;1-3-24(33)19-11-12-23-22(16-19)31-29(28-21(30)8-5-9-25(28)34)32(23)20-7-4-6-18(14-20)15-26(35)27-13-10-17(2)36-27;1-3-25(34)20-10-11-24-23(16-20)32-29(28-21(17-30)7-5-13-31-28)33(24)22-8-4-6-19(14-22)15-26(35)27-12-9-18(2)36-27;1-3-25(33)19-8-11-24-23(15-19)30-28(22-10-9-21(32)16-29-22)31(24)20-6-4-5-18(13-20)14-26(34)27-12-7-17(2)35-27/h1,8-13,16,18,21H,4-7,14-15H2,2H3;1,8-13,16-18,21,35H,4-7,14-15H2,2H3;5,8-13,16,18,20,34H,3-4,6-7,14-15H2,1-2H3;5,7,9-13,16,19,22H,3-4,6,8,14-15H2,1-2H3;7-12,15-16,18,20,32H,3-6,13-14H2,1-2H3/t2*18-,21+;18-,20+;19-,22+;18-,20+/m11111/s1.

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

2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 2544.59 g/mol, XLogP of 35.67, 35 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;1-[2-(2-fluoro-6-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 167620548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).