1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole

C25H26N2O2 — CID 16995937

IUPAC1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2CCOc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C25H26N2O2/c1-18-8-11-22(16-19(18)2)29-15-14-27-24-7-5-4-6-23(24)26-25(27)17-20-9-12-21(28-3)13-10-20/h4-13,16H,14-15,17H2,1-3H3
InChIKeyVYJMLRNQJTWAIE-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.33
Rot. Bonds7

About 1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole

1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole (PubChem CID 16995937) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
PubChem CID16995937
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2CCOc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C25H26N2O2/c1-18-8-11-22(16-19(18)2)29-15-14-27-24-7-5-4-6-23(24)26-25(27)17-20-9-12-21(28-3)13-10-20/h4-13,16H,14-15,17H2,1-3H3
InChIKeyVYJMLRNQJTWAIE-UHFFFAOYSA-N
XLogP5.33
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
CID 16996918
2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879090
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 18878535
2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole
CID 3160716
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995940
1-[4-(2,4-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995939
2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 16995768
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987436
1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242980
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991315
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole?
The IUPAC name of 1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole (CID 16995937) is 1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole is COc1ccc(Cc2nc3ccccc3n2CCOc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole?
The InChIKey is VYJMLRNQJTWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-8-11-22(16-19(18)2)29-15-14-27-24-7-5-4-6-23(24)26-25(27)17-20-9-12-21(28-3)13-10-20/h4-13,16H,14-15,17H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole?
1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 16995937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).