(1-benzyl-6-chlorobenzimidazol-2-yl)methanol

C15H13ClN2O — CID 46311001

IUPAC(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
SMILESOCc1nc2ccc(Cl)cc2n1Cc1ccccc1
InChIInChI=1S/C15H13ClN2O/c16-12-6-7-13-14(8-12)18(15(10-19)17-13)9-11-4-2-1-3-5-11/h1-8,19H,9-10H2
InChIKeyUJRYRRZAEOWGTJ-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.23
Rot. Bonds3

About (1-benzyl-6-chlorobenzimidazol-2-yl)methanol

(1-benzyl-6-chlorobenzimidazol-2-yl)methanol (PubChem CID 46311001) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (1-benzyl-6-chlorobenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
PubChem CID46311001
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
SMILESOCc1nc2ccc(Cl)cc2n1Cc1ccccc1
InChIInChI=1S/C15H13ClN2O/c16-12-6-7-13-14(8-12)18(15(10-19)17-13)9-11-4-2-1-3-5-11/h1-8,19H,9-10H2
InChIKeyUJRYRRZAEOWGTJ-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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Related Compounds

1,2-dibenzyl-6-chlorobenzimidazole
CID 46311010
[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
CID 46310204
1-[4-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 134084276
6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 115471149
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084278
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 134084273
4-[6-chloro-2-(hydroxymethyl)benzimidazol-1-yl]butanenitrile
CID 90103206
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
CID 134126909
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 115470803

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-6-chlorobenzimidazol-2-yl)methanol?
The IUPAC name of (1-benzyl-6-chlorobenzimidazol-2-yl)methanol (CID 46311001) is (1-benzyl-6-chlorobenzimidazol-2-yl)methanol.
What is the SMILES notation for (1-benzyl-6-chlorobenzimidazol-2-yl)methanol?
The canonical SMILES for (1-benzyl-6-chlorobenzimidazol-2-yl)methanol is OCc1nc2ccc(Cl)cc2n1Cc1ccccc1.
What is the InChIKey of (1-benzyl-6-chlorobenzimidazol-2-yl)methanol?
The InChIKey is UJRYRRZAEOWGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-12-6-7-13-14(8-12)18(15(10-19)17-13)9-11-4-2-1-3-5-11/h1-8,19H,9-10H2.
What are the key properties of (1-benzyl-6-chlorobenzimidazol-2-yl)methanol?
(1-benzyl-6-chlorobenzimidazol-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-benzyl-6-chlorobenzimidazol-2-yl)methanol is sourced from PubChem (CID 46311001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).