2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole

C23H21ClN2O — CID 16995712

IUPAC2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
SMILESCc1cccc(OCCn2c(Cc3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C23H21ClN2O/c1-17-7-6-9-19(15-17)27-14-13-26-22-12-5-4-11-21(22)25-23(26)16-18-8-2-3-10-20(18)24/h2-12,15H,13-14,16H2,1H3
InChIKeyRLYNZACZKFTYEP-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.67
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole

2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole (PubChem CID 16995712) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
PubChem CID16995712
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
SMILESCc1cccc(OCCn2c(Cc3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C23H21ClN2O/c1-17-7-6-9-19(15-17)27-14-13-26-22-12-5-4-11-21(22)25-23(26)16-18-8-2-3-10-20(18)24/h2-12,15H,13-14,16H2,1H3
InChIKeyRLYNZACZKFTYEP-UHFFFAOYSA-N
XLogP5.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16995769
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997884
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 16995725
2-[(2-chlorophenyl)methyl]-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 16995718
2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 18878460
1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole
CID 16995771
2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 16995768
2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16995754
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 18878535
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole (CID 16995712) is 2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole is Cc1cccc(OCCn2c(Cc3ccccc3Cl)nc3ccccc32)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The InChIKey is RLYNZACZKFTYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-17-7-6-9-19(15-17)27-14-13-26-22-12-5-4-11-21(22)25-23(26)16-18-8-2-3-10-20(18)24/h2-12,15H,13-14,16H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole has a molecular weight of 376.89 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16995712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).