2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole

C23H21ClN2O2 — CID 16997088

IUPAC2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
SMILESCc1cccc(OCCn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C23H21ClN2O2/c1-17-5-4-6-20(15-17)27-14-13-26-22-8-3-2-7-21(22)25-23(26)16-28-19-11-9-18(24)10-12-19/h2-12,15H,13-14,16H2,1H3
InChIKeyLMLAXNYZAKPLFY-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.66
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole

2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole (PubChem CID 16997088) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
PubChem CID16997088
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
SMILESCc1cccc(OCCn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C23H21ClN2O2/c1-17-5-4-6-20(15-17)27-14-13-26-22-8-3-2-7-21(22)25-23(26)16-28-19-11-9-18(24)10-12-19/h2-12,15H,13-14,16H2,1H3
InChIKeyLMLAXNYZAKPLFY-UHFFFAOYSA-N
XLogP5.66
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997884
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
CID 16997079
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219
2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 18878460
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-[(4-tert-butylphenoxy)methyl]-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16998746

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole (CID 16997088) is 2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole is Cc1cccc(OCCn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The InChIKey is LMLAXNYZAKPLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-17-5-4-6-20(15-17)27-14-13-26-22-8-3-2-7-21(22)25-23(26)16-28-19-11-9-18(24)10-12-19/h2-12,15H,13-14,16H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole has a molecular weight of 392.89 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16997088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).