[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol

C15H13ClN2O — CID 743896

IUPAC[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O/c16-12-7-5-11(6-8-12)9-18-14-4-2-1-3-13(14)17-15(18)10-19/h1-8,19H,9-10H2
InChIKeyVUZVSFJBGRTRQC-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.23
Rot. Bonds3

About [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol

[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol (PubChem CID 743896) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol
PubChem CID743896
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O/c16-12-7-5-11(6-8-12)9-18-14-4-2-1-3-13(14)17-15(18)10-19/h1-8,19H,9-10H2
InChIKeyVUZVSFJBGRTRQC-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol (CID 743896) is [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol?
The InChIKey is VUZVSFJBGRTRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-12-7-5-11(6-8-12)9-18-14-4-2-1-3-13(14)17-15(18)10-19/h1-8,19H,9-10H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol?
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol has a molecular weight of 272.74 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 743896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).