2-(2-chlorophenyl)-1-hydroxybenzimidazole

C13H9ClN2O — CID 3633777

IUPAC2-(2-chlorophenyl)-1-hydroxybenzimidazole
SMILESOn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C13H9ClN2O/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16(13)17/h1-8,17H
InChIKeyQCPNESSCFJPWPD-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.59
Rot. Bonds1

About 2-(2-chlorophenyl)-1-hydroxybenzimidazole

2-(2-chlorophenyl)-1-hydroxybenzimidazole (PubChem CID 3633777) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-hydroxybenzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-hydroxybenzimidazole
PubChem CID3633777
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name2-(2-chlorophenyl)-1-hydroxybenzimidazole
SMILESOn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C13H9ClN2O/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16(13)17/h1-8,17H
InChIKeyQCPNESSCFJPWPD-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-hydroxybenzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-hydroxybenzimidazole (CID 3633777) is 2-(2-chlorophenyl)-1-hydroxybenzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-hydroxybenzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-hydroxybenzimidazole is On1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-1-hydroxybenzimidazole?
The InChIKey is QCPNESSCFJPWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16(13)17/h1-8,17H.
What are the key properties of 2-(2-chlorophenyl)-1-hydroxybenzimidazole?
2-(2-chlorophenyl)-1-hydroxybenzimidazole 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 2-(2-chlorophenyl)-1-hydroxybenzimidazole is sourced from PubChem (CID 3633777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).