6-chloro-1-hydroxy-2-phenylbenzimidazole

C13H9ClN2O — CID 1486096

IUPAC6-chloro-1-hydroxy-2-phenylbenzimidazole
SMILESOn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C13H9ClN2O/c14-10-6-7-11-12(8-10)16(17)13(15-11)9-4-2-1-3-5-9/h1-8,17H
InChIKeyJWOSPQYKRZZPPB-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.59
Rot. Bonds1

About 6-chloro-1-hydroxy-2-phenylbenzimidazole

6-chloro-1-hydroxy-2-phenylbenzimidazole (PubChem CID 1486096) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 6-chloro-1-hydroxy-2-phenylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-hydroxy-2-phenylbenzimidazole
PubChem CID1486096
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name6-chloro-1-hydroxy-2-phenylbenzimidazole
SMILESOn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C13H9ClN2O/c14-10-6-7-11-12(8-10)16(17)13(15-11)9-4-2-1-3-5-9/h1-8,17H
InChIKeyJWOSPQYKRZZPPB-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

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1-(4-Chlorobenzyl)-1H-benzimidazole
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(1-((4-chlorophenyl)methyl)-1H-1,3-benzodiazol-2-yl)methanol
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2-((4-Chlorophenyl)methyl)-1H-benzimidazole
CID 225500
1-Hydroxy-2-phenylbenzimidazole
CID 606555
1-(4-Chlorophenylmethyl)-2-aminobenzimidazole
CID 743900
5-chloro-2-methyl-1-phenyl-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-hydroxy-2-phenylbenzimidazole?
The IUPAC name of 6-chloro-1-hydroxy-2-phenylbenzimidazole (CID 1486096) is 6-chloro-1-hydroxy-2-phenylbenzimidazole.
What is the SMILES notation for 6-chloro-1-hydroxy-2-phenylbenzimidazole?
The canonical SMILES for 6-chloro-1-hydroxy-2-phenylbenzimidazole is On1c(-c2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-hydroxy-2-phenylbenzimidazole?
The InChIKey is JWOSPQYKRZZPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-10-6-7-11-12(8-10)16(17)13(15-11)9-4-2-1-3-5-9/h1-8,17H.
What are the key properties of 6-chloro-1-hydroxy-2-phenylbenzimidazole?
6-chloro-1-hydroxy-2-phenylbenzimidazole has a molecular weight of 244.68 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-hydroxy-2-phenylbenzimidazole is sourced from PubChem (CID 1486096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).