5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol

C12H8ClN3O — CID 63851002

IUPAC5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol
SMILESOc1cncc(-c2nc3c(Cl)cccc3[nH]2)c1
InChIInChI=1S/C12H8ClN3O/c13-9-2-1-3-10-11(9)16-12(15-10)7-4-8(17)6-14-5-7/h1-6,17H,(H,15,16)
InChIKeyJUMACLSCTJLRIM-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.98
Rot. Bonds1

About 5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol

5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol (PubChem CID 63851002) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol
PubChem CID63851002
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol
SMILESOc1cncc(-c2nc3c(Cl)cccc3[nH]2)c1
InChIInChI=1S/C12H8ClN3O/c13-9-2-1-3-10-11(9)16-12(15-10)7-4-8(17)6-14-5-7/h1-6,17H,(H,15,16)
InChIKeyJUMACLSCTJLRIM-UHFFFAOYSA-N
XLogP2.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922109
4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903772
4-chloro-2-(4-iodophenyl)-1H-benzimidazole
CID 28690808
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928259
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-ol
CID 81137083
5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 63852563
2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 113452902
4-chloro-2-(2,5-dimethylphenyl)-1H-benzimidazole
CID 64723918
5-(6-methoxy-1H-benzimidazol-2-yl)pyridin-3-ol
CID 65017825
5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137109495

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol?
The IUPAC name of 5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol (CID 63851002) is 5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol.
What is the SMILES notation for 5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol?
The canonical SMILES for 5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol is Oc1cncc(-c2nc3c(Cl)cccc3[nH]2)c1.
What is the InChIKey of 5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol?
The InChIKey is JUMACLSCTJLRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-9-2-1-3-10-11(9)16-12(15-10)7-4-8(17)6-14-5-7/h1-6,17H,(H,15,16).
What are the key properties of 5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol?
5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol has a molecular weight of 245.67 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol is sourced from PubChem (CID 63851002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).