2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole

C22H19ClN2O — CID 5136193

IUPAC2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
SMILESCc1ccc(OCCn2c(-c3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C22H19ClN2O/c1-16-10-12-17(13-11-16)26-15-14-25-21-9-5-4-8-20(21)24-22(25)18-6-2-3-7-19(18)23/h2-13H,14-15H2,1H3
InChIKeyBAEDMZSSVJRPKQ-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.74
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole

2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole (PubChem CID 5136193) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
PubChem CID5136193
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
SMILESCc1ccc(OCCn2c(-c3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C22H19ClN2O/c1-16-10-12-17(13-11-16)26-15-14-25-21-9-5-4-8-20(21)24-22(25)18-6-2-3-7-19(18)23/h2-13H,14-15H2,1H3
InChIKeyBAEDMZSSVJRPKQ-UHFFFAOYSA-N
XLogP5.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 17002176
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
2-(2-chlorophenyl)-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 17002171
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 17002142
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
2-chloro-N-[1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967682

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole (CID 5136193) is 2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole is Cc1ccc(OCCn2c(-c3ccccc3Cl)nc3ccccc32)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole?
The InChIKey is BAEDMZSSVJRPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-16-10-12-17(13-11-16)26-15-14-25-21-9-5-4-8-20(21)24-22(25)18-6-2-3-7-19(18)23/h2-13H,14-15H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole?
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole has a molecular weight of 362.86 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 5136193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).