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

C26H19ClN4O — CID 44530619

IUPAC2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5cccnc5Cl)c4)c3)nc12
InChIInChI=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)
InChIKeyCHEZNBUZBVZEAS-UHFFFAOYSA-N
MW438.92 g/mol
LogP6.51
Rot. Bonds4

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 Name2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide
PubChem CID44530619
Molecular FormulaC26H19ClN4O
Molecular Weight438.92 g/mol
Exact Mass438.12
IUPAC Name2-chloro-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5cccnc5Cl)c4)c3)nc12
InChIInChI=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)
InChIKeyCHEZNBUZBVZEAS-UHFFFAOYSA-N
XLogP6.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).