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

C24H23ClN2O2 — CID 16997884

IUPAC1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
SMILESCc1cccc(OCc2nc3ccccc3n2CCOc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C24H23ClN2O2/c1-17-6-5-7-19(14-17)29-16-24-26-22-8-3-4-9-23(22)27(24)12-13-28-20-10-11-21(25)18(2)15-20/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyKKJXYOLEEHNCGC-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.96
Rot. Bonds7

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

1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole (PubChem CID 16997884) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
PubChem CID16997884
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
SMILESCc1cccc(OCc2nc3ccccc3n2CCOc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C24H23ClN2O2/c1-17-6-5-7-19(14-17)29-16-24-26-22-8-3-4-9-23(22)27(24)12-13-28-20-10-11-21(25)18(2)15-20/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyKKJXYOLEEHNCGC-UHFFFAOYSA-N
XLogP5.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.96
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-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
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
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002010
[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol
CID 5090775
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole (CID 16997884) is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole is Cc1cccc(OCc2nc3ccccc3n2CCOc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
The InChIKey is KKJXYOLEEHNCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-17-6-5-7-19(14-17)29-16-24-26-22-8-3-4-9-23(22)27(24)12-13-28-20-10-11-21(25)18(2)15-20/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole has a molecular weight of 406.91 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).