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

C25H26N2O3 — CID 18878535

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2CCOc2cccc(C)c2)cc1OC
InChIInChI=1S/C25H26N2O3/c1-18-7-6-8-20(15-18)30-14-13-27-22-10-5-4-9-21(22)26-25(27)17-19-11-12-23(28-2)24(16-19)29-3/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyQGYWPJPGCZZAFH-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.03
Rot. Bonds8

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

2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole (PubChem CID 18878535) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
PubChem CID18878535
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2CCOc2cccc(C)c2)cc1OC
InChIInChI=1S/C25H26N2O3/c1-18-7-6-8-20(15-18)30-14-13-27-22-10-5-4-9-21(22)26-25(27)17-19-11-12-23(28-2)24(16-19)29-3/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyQGYWPJPGCZZAFH-UHFFFAOYSA-N
XLogP5.03
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole
CID 3160716
2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 18878538
1-[2-(2-chlorophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 18878525
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995937
2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 18878460
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
2-[(3,4-dimethoxyphenyl)methyl]-1-octadecylbenzimidazole
CID 18878488
2-[(3,4-dimethoxyphenyl)methyl]-1-octylbenzimidazole
CID 18878494
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole (CID 18878535) is 2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole is COc1ccc(Cc2nc3ccccc3n2CCOc2cccc(C)c2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
The InChIKey is QGYWPJPGCZZAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-7-6-8-20(15-18)30-14-13-27-22-10-5-4-9-21(22)26-25(27)17-19-11-12-23(28-2)24(16-19)29-3/h4-12,15-16H,13-14,17H2,1-3H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole?
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole has a molecular weight of 402.49 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 18878535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).