2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole

C18H12ClN3 — CID 58037969

IUPAC2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
SMILESClc1cc(-c2nc3ccccc3[nH]2)c(-c2ccccc2)cn1
InChIInChI=1S/C18H12ClN3/c19-17-10-13(14(11-20-17)12-6-2-1-3-7-12)18-21-15-8-4-5-9-16(15)22-18/h1-11H,(H,21,22)
InChIKeyZONCMNJOKPXSQH-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.95
Rot. Bonds2

About 2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole

2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole (PubChem CID 58037969) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
PubChem CID58037969
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
SMILESClc1cc(-c2nc3ccccc3[nH]2)c(-c2ccccc2)cn1
InChIInChI=1S/C18H12ClN3/c19-17-10-13(14(11-20-17)12-6-2-1-3-7-12)18-21-15-8-4-5-9-16(15)22-18/h1-11H,(H,21,22)
InChIKeyZONCMNJOKPXSQH-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
CID 141467779
2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
CID 102008085
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480
6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine
CID 141349834

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole?
The IUPAC name of 2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole (CID 58037969) is 2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole is Clc1cc(-c2nc3ccccc3[nH]2)c(-c2ccccc2)cn1.
What is the InChIKey of 2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole?
The InChIKey is ZONCMNJOKPXSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-17-10-13(14(11-20-17)12-6-2-1-3-7-12)18-21-15-8-4-5-9-16(15)22-18/h1-11H,(H,21,22).
What are the key properties of 2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole?
2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole has a molecular weight of 305.77 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 58037969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).