4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol

C13H9ClN2O2 — CID 136903703

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(O)c1
InChIInChI=1S/C13H9ClN2O2/c14-7-1-4-10-11(5-7)16-13(15-10)9-3-2-8(17)6-12(9)18/h1-6,17-18H,(H,15,16)
InChIKeyTWVGERZBFIWVPQ-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.29
Rot. Bonds1

About 4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol

4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol (PubChem CID 136903703) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
PubChem CID136903703
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(O)c1
InChIInChI=1S/C13H9ClN2O2/c14-7-1-4-10-11(5-7)16-13(15-10)9-3-2-8(17)6-12(9)18/h1-6,17-18H,(H,15,16)
InChIKeyTWVGERZBFIWVPQ-UHFFFAOYSA-N
XLogP3.29
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903792
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol
CID 136751628
6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60975061
4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
CID 139915272
2-(2-chlorofuran-3-yl)-3H-benzimidazol-5-ol
CID 106688315
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
CID 135988298
2-(6-chloro-1H-benzimidazol-2-yl)-4-nitrophenol
CID 136830892
2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
CID 136837284
2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol
CID 81431500

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol (CID 136903703) is 4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol is Oc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(O)c1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol?
The InChIKey is TWVGERZBFIWVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-7-1-4-10-11(5-7)16-13(15-10)9-3-2-8(17)6-12(9)18/h1-6,17-18H,(H,15,16).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol?
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol has a molecular weight of 260.68 g/mol, XLogP of 3.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 136903703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).