methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

C111H105N21O8 — CID 157273677

About methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 157273677) has the molecular formula C111H105N21O8 and a molecular weight of 1861.20 g/mol. Its IUPAC name is methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 157273677
• Molecular Formula: C111H105N21O8
• Molecular Weight: 1861.20 g/mol
• Exact Mass: 1859.85
• IUPAC Name: methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
• SMILES: C.C=C1C2CC3CC1CC(NC(=O)c1ccc(-c4nc5ccc(C(=O)Nc6ccccn6)cc5[nH]4)cc1)(C3)C2.CC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccn5)cc4[nH]3)cc2)CC1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)Nc4ccccn4)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)[nH]c2c1
• InChI: InChI=1S/C31H29N5O2.2C27H27N5O2.C25H18N6O2.CH4/c1-18-23-12-19-13-24(18)17-31(15-19,16-23)36-30(38)21-7-5-20(6-8-21)28-33-25-10-9-22(14-26(25)34-28)29(37)35-27-4-2-3-11-32-27;1-17-6-2-3-7-21(17)31-26(33)19-11-9-18(10-12-19)25-29-22-14-13-20(16-23(22)30-25)27(34)32-24-8-4-5-15-28-24;1-17-5-12-21(13-6-17)29-26(33)19-9-7-18(8-10-19)25-30-22-14-11-20(16-23(22)31-25)27(34)32-24-4-2-3-15-28-24;32-24(31-22-5-1-2-13-27-22)17-8-6-16(7-9-17)23-29-20-11-10-18(14-21(20)30-23)25(33)28-19-4-3-12-26-15-19;/h2-11,14,19,23-24H,1,12-13,15-17H2,(H,33,34)(H,36,38)(H,32,35,37);4-5,8-17,21H,2-3,6-7H2,1H3,(H,29,30)(H,31,33)(H,28,32,34);2-4,7-11,14-17,21H,5-6,12-13H2,1H3,(H,29,33)(H,30,31)(H,28,32,34);1-15H,(H,28,33)(H,29,30)(H,27,31,32);1H4
• InChIKey: AYVJAOGQFWJIMI-UHFFFAOYSA-N
• XLogP: 21.27
• TPSA: 411.97 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1861.20
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 157273677) is methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is C.C=C1C2CC3CC1CC(NC(=O)c1ccc(-c4nc5ccc(C(=O)Nc6ccccn6)cc5[nH]4)cc1)(C3)C2.CC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccn5)cc4[nH]3)cc2)CC1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)Nc4ccccn4)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)[nH]c2c1.

What is the InChIKey of methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?

The InChIKey is AYVJAOGQFWJIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O2.2C27H27N5O2.C25H18N6O2.CH4/c1-18-23-12-19-13-24(18)17-31(15-19,16-23)36-30(38)21-7-5-20(6-8-21)28-33-25-10-9-22(14-26(25)34-28)29(37)35-27-4-2-3-11-32-27;1-17-6-2-3-7-21(17)31-26(33)19-11-9-18(10-12-19)25-29-22-14-13-20(16-23(22)30-25)27(34)32-24-8-4-5-15-28-24;1-17-5-12-21(13-6-17)29-26(33)19-9-7-18(8-10-19)25-30-22-14-11-20(16-23(22)31-25)27(34)32-24-4-2-3-15-28-24;32-24(31-22-5-1-2-13-27-22)17-8-6-16(7-9-17)23-29-20-11-10-18(14-21(20)30-23)25(33)28-19-4-3-12-26-15-19;/h2-11,14,19,23-24H,1,12-13,15-17H2,(H,33,34)(H,36,38)(H,32,35,37);4-5,8-17,21H,2-3,6-7H2,1H3,(H,29,30)(H,31,33)(H,28,32,34);2-4,7-11,14-17,21H,5-6,12-13H2,1H3,(H,29,33)(H,30,31)(H,28,32,34);1-15H,(H,28,33)(H,29,30)(H,27,31,32);1H4.

What are the key properties of methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?

methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 1861.20 g/mol, XLogP of 21.27, 20 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylidene-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 157273677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).