N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C30H29N7O2 — CID 3702850

About N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 3702850) has the molecular formula C30H29N7O2 and a molecular weight of 519.61 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 3702850
• Molecular Formula: C30H29N7O2
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.24
• IUPAC Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c(C2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)CC2)n1
• InChI: InChI=1S/C30H29N7O2/c1-19-3-9-25(29(38)35-23-5-7-24(8-6-23)37-16-13-31-18-37)28(32-19)21-11-14-36(15-12-21)30(39)22-4-10-26-27(17-22)34-20(2)33-26/h3-10,13,16-18,21H,11-12,14-15H2,1-2H3,(H,33,34)(H,35,38)
• InChIKey: DSCPCLJJUSRTEG-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 108.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 3702850) is N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c(C2CCN(C(=O)c3ccc4nc(C)[nH]c4c3)CC2)n1.

What is the InChIKey of N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is DSCPCLJJUSRTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2/c1-19-3-9-25(29(38)35-23-5-7-24(8-6-23)37-16-13-31-18-37)28(32-19)21-11-14-36(15-12-21)30(39)22-4-10-26-27(17-22)34-20(2)33-26/h3-10,13,16-18,21H,11-12,14-15H2,1-2H3,(H,33,34)(H,35,38).

What are the key properties of N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 519.61 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3702850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).