1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole

C23H21ClN2O — CID 17000788

IUPAC1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2CCOc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C23H21ClN2O/c1-16-6-5-7-18(14-16)23-25-21-8-3-4-9-22(21)26(23)12-13-27-19-10-11-20(24)17(2)15-19/h3-11,14-15H,12-13H2,1-2H3
InChIKeyDPLUBGRTXIADML-UHFFFAOYSA-N
MW376.89 g/mol
LogP6.05
Rot. Bonds5

About 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole

1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole (PubChem CID 17000788) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
PubChem CID17000788
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2CCOc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C23H21ClN2O/c1-16-6-5-7-18(14-16)23-25-21-8-3-4-9-22(21)26(23)12-13-27-19-10-11-20(24)17(2)15-19/h3-11,14-15H,12-13H2,1-2H3
InChIKeyDPLUBGRTXIADML-UHFFFAOYSA-N
XLogP6.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002010
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997884
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000870
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-(3,4-dimethoxyphenyl)benzimidazole
CID 17001450
2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole
CID 17001892
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 23607145
1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000838
2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole?
The IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole (CID 17000788) is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole?
The canonical SMILES for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole is Cc1cccc(-c2nc3ccccc3n2CCOc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole?
The InChIKey is DPLUBGRTXIADML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-16-6-5-7-18(14-16)23-25-21-8-3-4-9-22(21)26(23)12-13-27-19-10-11-20(24)17(2)15-19/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole?
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole has a molecular weight of 376.89 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole is sourced from PubChem (CID 17000788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).