2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide

C26H19ClN4O — CID 44530619

About 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide

2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide (PubChem CID 44530619) has the molecular formula C26H19ClN4O and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 44530619
• Molecular Formula: C26H19ClN4O
• Molecular Weight: 438.92 g/mol
• Exact Mass: 438.12
• IUPAC Name: 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide
• SMILES: Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5cccnc5Cl)c4)c3)nc12
• InChI: InChI=1S/C26H19ClN4O/c1-16-6-2-12-22-23(16)31-25(30-22)19-9-3-7-17(14-19)18-8-4-10-20(15-18)29-26(32)21-11-5-13-28-24(21)27/h2-15H,1H3,(H,29,32)(H,30,31)
• InChIKey: CHEZNBUZBVZEAS-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.92
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide (CID 44530619) is 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide is Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5cccnc5Cl)c4)c3)nc12.

What is the InChIKey of 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide?

The InChIKey is CHEZNBUZBVZEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O/c1-16-6-2-12-22-23(16)31-25(30-22)19-9-3-7-17(14-19)18-8-4-10-20(15-18)29-26(32)21-11-5-13-28-24(21)27/h2-15H,1H3,(H,29,32)(H,30,31).

What are the key properties of 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide?

2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44530619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).