2-(4-chloro-3-pyridinyl)-1H-benzimidazole

C12H8ClN3 — CID 67996480

IUPAC2-(4-chloro-3-pyridinyl)-1H-benzimidazole
SMILESClc1ccncc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H8ClN3/c13-9-5-6-14-7-8(9)12-15-10-3-1-2-4-11(10)16-12/h1-7H,(H,15,16)
InChIKeyJFPHPFHPVBFMLG-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.28
Rot. Bonds1

About 2-(4-chloro-3-pyridinyl)-1H-benzimidazole

2-(4-chloro-3-pyridinyl)-1H-benzimidazole (PubChem CID 67996480) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(4-chloro-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chloro-3-pyridinyl)-1H-benzimidazole
PubChem CID67996480
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name2-(4-chloro-3-pyridinyl)-1H-benzimidazole
SMILESClc1ccncc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H8ClN3/c13-9-5-6-14-7-8(9)12-15-10-3-1-2-4-11(10)16-12/h1-7H,(H,15,16)
InChIKeyJFPHPFHPVBFMLG-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
CID 105063747
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole
CID 129318090
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole
CID 129162881
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
3-(1H-benzimidazol-2-yl)-5-pyridin-4-ylpyridin-2-amine
CID 50923466
CID 20700346
CID 20700346
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 2-(4-chloro-3-pyridinyl)-1H-benzimidazole (CID 67996480) is 2-(4-chloro-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-chloro-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-chloro-3-pyridinyl)-1H-benzimidazole is Clc1ccncc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(4-chloro-3-pyridinyl)-1H-benzimidazole?
The InChIKey is JFPHPFHPVBFMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-9-5-6-14-7-8(9)12-15-10-3-1-2-4-11(10)16-12/h1-7H,(H,15,16).
What are the key properties of 2-(4-chloro-3-pyridinyl)-1H-benzimidazole?
2-(4-chloro-3-pyridinyl)-1H-benzimidazole has a molecular weight of 229.67 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 67996480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).