2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole

C73H69N7O5S2 — CID 159941965

About 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole

2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole (PubChem CID 159941965) has the molecular formula C73H69N7O5S2 and a molecular weight of 1188.53 g/mol. Its IUPAC name is 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
• PubChem CID: 159941965
• Molecular Formula: C73H69N7O5S2
• Molecular Weight: 1188.53 g/mol
• Exact Mass: 1187.48
• IUPAC Name: 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
• SMILES: Cc1ccc(C2CC2c2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)cc1.Cc1ccc([C@@H]2C[C@H]2c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1.Cc1ccc([C@H]2C[C@@H]2c2nc3ccc(-c4ccccc4C(C)(C)O)cc3[nH]2)cc1
• InChI: InChI=1S/C26H26N2O.C24H22N2O2S.C23H21N3O2S/c1-16-8-10-17(11-9-16)20-15-21(20)25-27-23-13-12-18(14-24(23)28-25)19-6-4-5-7-22(19)26(2,3)29;1-15-7-9-16(10-8-15)19-14-20(19)24-25-21-12-11-17(13-22(21)26-24)18-5-3-4-6-23(18)29(2,27)28;1-14-6-8-15(9-7-14)18-13-19(18)23-25-20-11-10-16(12-21(20)26-23)17-4-2-3-5-22(17)29(24,27)28/h4-14,20-21,29H,15H2,1-3H3,(H,27,28);3-13,19-20H,14H2,1-2H3,(H,25,26);2-12,18-19H,13H2,1H3,(H,25,26)(H2,24,27,28)/t20-,21+;;18-,19+/m1.0/s1
• InChIKey: OAZMJDKWWPSFKR-DMJNGDGHSA-N
• XLogP: 15.71
• TPSA: 200.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1188.53
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole?

The IUPAC name of 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole (CID 159941965) is 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole.

What is the SMILES notation for 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole?

The canonical SMILES for 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole is Cc1ccc(C2CC2c2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)cc1.Cc1ccc([C@@H]2C[C@H]2c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1.Cc1ccc([C@H]2C[C@@H]2c2nc3ccc(-c4ccccc4C(C)(C)O)cc3[nH]2)cc1.

What is the InChIKey of 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole?

The InChIKey is OAZMJDKWWPSFKR-DMJNGDGHSA-N. The full InChI is InChI=1S/C26H26N2O.C24H22N2O2S.C23H21N3O2S/c1-16-8-10-17(11-9-16)20-15-21(20)25-27-23-13-12-18(14-24(23)28-25)19-6-4-5-7-22(19)26(2,3)29;1-15-7-9-16(10-8-15)19-14-20(19)24-25-21-12-11-17(13-22(21)26-24)18-5-3-4-6-23(18)29(2,27)28;1-14-6-8-15(9-7-14)18-13-19(18)23-25-20-11-10-16(12-21(20)26-23)17-4-2-3-5-22(17)29(24,27)28/h4-14,20-21,29H,15H2,1-3H3,(H,27,28);3-13,19-20H,14H2,1-2H3,(H,25,26);2-12,18-19H,13H2,1H3,(H,25,26)(H2,24,27,28)/t20-,21+;;18-,19+/m1.0/s1.

What are the key properties of 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole?

2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole has a molecular weight of 1188.53 g/mol, XLogP of 15.71, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole is sourced from PubChem (CID 159941965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).