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

C23H22N2O2 — CID 17001320

IUPAC2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2CCOc2cccc(C)c2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-6-5-7-20(16-17)27-15-14-25-22-9-4-3-8-21(22)24-23(25)18-10-12-19(26-2)13-11-18/h3-13,16H,14-15H2,1-2H3
InChIKeyVESJSAXYNTYCTL-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.10
Rot. Bonds6

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

2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole (PubChem CID 17001320) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
PubChem CID17001320
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2CCOc2cccc(C)c2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-6-5-7-20(16-17)27-15-14-25-22-9-4-3-8-21(22)24-23(25)18-10-12-19(26-2)13-11-18/h3-13,16H,14-15H2,1-2H3
InChIKeyVESJSAXYNTYCTL-UHFFFAOYSA-N
XLogP5.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001717
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000282
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole (CID 17001320) is 2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole is COc1ccc(-c2nc3ccccc3n2CCOc2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The InChIKey is VESJSAXYNTYCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-6-5-7-20(16-17)27-15-14-25-22-9-4-3-8-21(22)24-23(25)18-10-12-19(26-2)13-11-18/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole has a molecular weight of 358.44 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 17001320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).