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

C22H18Cl2N2O — CID 17002010

IUPAC1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
SMILESCc1cc(OCCn2c(-c3cccc(Cl)c3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C22H18Cl2N2O/c1-15-13-18(9-10-19(15)24)27-12-11-26-21-8-3-2-7-20(21)25-22(26)16-5-4-6-17(23)14-16/h2-10,13-14H,11-12H2,1H3
InChIKeyWKMGJVUFHSFJBA-UHFFFAOYSA-N
MW397.31 g/mol
LogP6.40
Rot. Bonds5

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

1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole (PubChem CID 17002010) has the molecular formula C22H18Cl2N2O and a molecular weight of 397.31 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
PubChem CID17002010
Molecular FormulaC22H18Cl2N2O
Molecular Weight397.31 g/mol
Exact Mass396.08
IUPAC Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
SMILESCc1cc(OCCn2c(-c3cccc(Cl)c3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C22H18Cl2N2O/c1-15-13-18(9-10-19(15)24)27-12-11-26-21-8-3-2-7-20(21)25-22(26)16-5-4-6-17(23)14-16/h2-10,13-14H,11-12H2,1H3
InChIKeyWKMGJVUFHSFJBA-UHFFFAOYSA-N
XLogP6.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
CID 17002067
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-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997884
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 23607145
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000870

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole?
The IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole (CID 17002010) is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole.
What is the SMILES notation for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole?
The canonical SMILES for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole is Cc1cc(OCCn2c(-c3cccc(Cl)c3)nc3ccccc32)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole?
The InChIKey is WKMGJVUFHSFJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O/c1-15-13-18(9-10-19(15)24)27-12-11-26-21-8-3-2-7-20(21)25-22(26)16-5-4-6-17(23)14-16/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole?
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole has a molecular weight of 397.31 g/mol, XLogP of 6.40, 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-chlorophenyl)benzimidazole is sourced from PubChem (CID 17002010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).