1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole

C21H17ClN2O — CID 16997302

IUPAC1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
SMILESClc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H17ClN2O/c22-17-10-4-7-13-20(17)25-15-21-23-18-11-5-6-12-19(18)24(21)14-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyFODDJDYRDZNNDC-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.32
Rot. Bonds5

About 1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole

1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole (PubChem CID 16997302) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
PubChem CID16997302
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
SMILESClc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H17ClN2O/c22-17-10-4-7-13-20(17)25-15-21-23-18-11-5-6-12-19(18)24(21)14-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyFODDJDYRDZNNDC-UHFFFAOYSA-N
XLogP5.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997320
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
2-[(2-chlorophenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 16997288
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 4296806
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 16997463
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714
2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878159
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997345
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole (CID 16997302) is 1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole is Clc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole?
The InChIKey is FODDJDYRDZNNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O/c22-17-10-4-7-13-20(17)25-15-21-23-18-11-5-6-12-19(18)24(21)14-16-8-2-1-3-9-16/h1-13H,14-15H2.
What are the key properties of 1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole?
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole has a molecular weight of 348.83 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).