1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole

C23H22N2O2 — CID 17000783

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
SMILESCOc1ccccc1OCCn1c(-c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C23H22N2O2/c1-17-8-7-9-18(16-17)23-24-19-10-3-4-11-20(19)25(23)14-15-27-22-13-6-5-12-21(22)26-2/h3-13,16H,14-15H2,1-2H3
InChIKeyHXRMVKRNNWYOSU-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.10
Rot. Bonds6

About 1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole

1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole (PubChem CID 17000783) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
PubChem CID17000783
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
SMILESCOc1ccccc1OCCn1c(-c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C23H22N2O2/c1-17-8-7-9-18(16-17)23-24-19-10-3-4-11-20(19)25(23)14-15-27-22-13-6-5-12-21(22)26-2/h3-13,16H,14-15H2,1-2H3
InChIKeyHXRMVKRNNWYOSU-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-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole
CID 17001877
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 17001900
2-(3-methylphenyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17000779
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 17000802
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
1-[4-(2,4-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000824
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000504

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole (CID 17000783) is 1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole is COc1ccccc1OCCn1c(-c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole?
The InChIKey is HXRMVKRNNWYOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-8-7-9-18(16-17)23-24-19-10-3-4-11-20(19)25(23)14-15-27-22-13-6-5-12-21(22)26-2/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole?
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)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 1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole is sourced from PubChem (CID 17000783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).