3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one

C13H9ClN2O2 — CID 117206903

IUPAC3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(O)cccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O2/c14-8-4-6-9(7-5-8)16-10-2-1-3-11(17)12(10)15-13(16)18/h1-7,17H,(H,15,18)
InChIKeyYNZCRXORIVBZDO-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.68
Rot. Bonds1

About 3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one

3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one (PubChem CID 117206903) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
PubChem CID117206903
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(O)cccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O2/c14-8-4-6-9(7-5-8)16-10-2-1-3-11(17)12(10)15-13(16)18/h1-7,17H,(H,15,18)
InChIKeyYNZCRXORIVBZDO-UHFFFAOYSA-N
XLogP2.68
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206820
7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one
CID 117206989
7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
CID 117206889
3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117261981
3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione
CID 117261144
7-hydroxy-3-thiophen-2-yl-1H-benzimidazol-2-one
CID 117206617
3,7-diphenyl-1H-benzimidazol-2-one
CID 174623828
7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117206797
3-(4-chlorophenyl)-7-fluoro-1H-benzimidazole-2-thione
CID 60788639
8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
CID 117261980
4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 5305598
3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783701

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one (CID 117206903) is 3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one is O=c1[nH]c2c(O)cccc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one?
The InChIKey is YNZCRXORIVBZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-8-4-6-9(7-5-8)16-10-2-1-3-11(17)12(10)15-13(16)18/h1-7,17H,(H,15,18).
What are the key properties of 3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one?
3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one has a molecular weight of 260.68 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117206903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).