2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

C136H158N20O10 — CID 161351239

About 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 161351239) has the molecular formula C136H158N20O10 and a molecular weight of 2232.89 g/mol. Its IUPAC name is 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 161351239
• Molecular Formula: C136H158N20O10
• Molecular Weight: 2232.89 g/mol
• Exact Mass: 2231.25
• IUPAC Name: 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
• SMILES: CC1CCCCC1C(=O)Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC=CCC4)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)C1=CCCCC1
• InChI: InChI=1S/2C28H34N4O2.2C27H30N4O2.C26H30N4O2/c1-18-7-5-6-10-23(18)28(34)30-22-14-11-19(12-15-22)26-31-24-16-13-20(17-25(24)32-26)27(33)29-21-8-3-2-4-9-21;33-27(20-8-4-1-2-5-9-20)30-23-15-12-19(13-16-23)26-31-24-17-14-21(18-25(24)32-26)28(34)29-22-10-6-3-7-11-22;2*32-26(19-7-3-1-4-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-5-2-6-10-21;31-25(18-6-2-1-3-7-18)28-21-13-10-17(11-14-21)24-29-22-15-12-19(16-23(22)30-24)26(32)27-20-8-4-5-9-20/h11-18,21,23H,2-10H2,1H3,(H,29,33)(H,30,34)(H,31,32);12-18,20,22H,1-11H2,(H,29,34)(H,30,33)(H,31,32);7,11-17,21H,1-6,8-10H2,(H,28,33)(H,29,32)(H,30,31);1,3,11-17,19,21H,2,4-10H2,(H,28,33)(H,29,32)(H,30,31);10-16,18,20H,1-9H2,(H,27,32)(H,28,31)(H,29,30)
• InChIKey: VNYLHXQBGKJKAX-UHFFFAOYSA-N
• XLogP: 29.00
• TPSA: 434.40 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2232.89
LogP ≤ 5	29.00
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (CID 161351239) is 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is CC1CCCCC1C(=O)Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC=CCC4)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)C1=CCCCC1.

What is the InChIKey of 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

The InChIKey is VNYLHXQBGKJKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H34N4O2.2C27H30N4O2.C26H30N4O2/c1-18-7-5-6-10-23(18)28(34)30-22-14-11-19(12-15-22)26-31-24-16-13-20(17-25(24)32-26)27(33)29-21-8-3-2-4-9-21;33-27(20-8-4-1-2-5-9-20)30-23-15-12-19(13-16-23)26-31-24-17-14-21(18-25(24)32-26)28(34)29-22-10-6-3-7-11-22;2*32-26(19-7-3-1-4-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-5-2-6-10-21;31-25(18-6-2-1-3-7-18)28-21-13-10-17(11-14-21)24-29-22-15-12-19(16-23(22)30-24)26(32)27-20-8-4-5-9-20/h11-18,21,23H,2-10H2,1H3,(H,29,33)(H,30,34)(H,31,32);12-18,20,22H,1-11H2,(H,29,34)(H,30,33)(H,31,32);7,11-17,21H,1-6,8-10H2,(H,28,33)(H,29,32)(H,30,31);1,3,11-17,19,21H,2,4-10H2,(H,28,33)(H,29,32)(H,30,31);10-16,18,20H,1-9H2,(H,27,32)(H,28,31)(H,29,30).

What are the key properties of 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 2232.89 g/mol, XLogP of 29.00, 25 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(cycloheptanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 161351239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).