4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol

C14H11ClN2O2 — CID 135905264

IUPAC4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
SMILESCOc1ccc2nc(-c3cc(Cl)ccc3O)[nH]c2c1
InChIInChI=1S/C14H11ClN2O2/c1-19-9-3-4-11-12(7-9)17-14(16-11)10-6-8(15)2-5-13(10)18/h2-7,18H,1H3,(H,16,17)
InChIKeyOJXGLKLFKDBBJB-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.60
Rot. Bonds2

About 4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol

4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol (PubChem CID 135905264) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
PubChem CID135905264
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
SMILESCOc1ccc2nc(-c3cc(Cl)ccc3O)[nH]c2c1
InChIInChI=1S/C14H11ClN2O2/c1-19-9-3-4-11-12(7-9)17-14(16-11)10-6-8(15)2-5-13(10)18/h2-7,18H,1H3,(H,16,17)
InChIKeyOJXGLKLFKDBBJB-UHFFFAOYSA-N
XLogP3.60
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 107049937
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole
CID 132591742
2-(6-chloro-1H-benzimidazol-2-yl)-4-nitrophenol
CID 136830892
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one
CID 135458205

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol (CID 135905264) is 4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol is COc1ccc2nc(-c3cc(Cl)ccc3O)[nH]c2c1.
What is the InChIKey of 4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol?
The InChIKey is OJXGLKLFKDBBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-19-9-3-4-11-12(7-9)17-14(16-11)10-6-8(15)2-5-13(10)18/h2-7,18H,1H3,(H,16,17).
What are the key properties of 4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol?
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol has a molecular weight of 274.71 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 135905264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).