2-(1H-benzimidazol-2-yl)-4-chlorophenol

C13H9ClN2O — CID 3511211

IUPAC2-(1H-benzimidazol-2-yl)-4-chlorophenol
SMILESOc1ccc(Cl)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H9ClN2O/c14-8-5-6-12(17)9(7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,(H,15,16)
InChIKeyPBENZIMZQAFNCZ-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.59
Rot. Bonds1

About 2-(1H-benzimidazol-2-yl)-4-chlorophenol

2-(1H-benzimidazol-2-yl)-4-chlorophenol (PubChem CID 3511211) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-chlorophenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-chlorophenol
PubChem CID3511211
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name2-(1H-benzimidazol-2-yl)-4-chlorophenol
SMILESOc1ccc(Cl)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H9ClN2O/c14-8-5-6-12(17)9(7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,(H,15,16)
InChIKeyPBENZIMZQAFNCZ-UHFFFAOYSA-N
XLogP3.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6-Dimethyl-2-benzimidazolyl)phenol
CID 246546
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
2-(2'-Hydroxyphenyl)benzimidazole
CID 18075
2-(2-hydroxy-(1,1'-biphenyl)-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
CID 1504
Cra_1144
CID 1506
Cra_10762
CID 447484
3-(1H-Benzoimidazol-2-yl)-phenol
CID 763204
2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-phenylbenzen-1-olate
CID 135559082
Cra_1802
CID 447502
2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine
CID 135855944
2-[(1H-benzimidazol-2-ylamino)methyl]-4,6-dichlorophenol
CID 948072
Benzimidazole derivative 3
CID 5268800

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-chlorophenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-chlorophenol (CID 3511211) is 2-(1H-benzimidazol-2-yl)-4-chlorophenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-chlorophenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-chlorophenol is Oc1ccc(Cl)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-chlorophenol?
The InChIKey is PBENZIMZQAFNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-8-5-6-12(17)9(7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-chlorophenol?
2-(1H-benzimidazol-2-yl)-4-chlorophenol has a molecular weight of 244.68 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-chlorophenol is sourced from PubChem (CID 3511211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).