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

C25H26N2O3 — CID 18878538

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2CCCOc2ccccc2)cc1OC
InChIInChI=1S/C25H26N2O3/c1-28-23-14-13-19(17-24(23)29-2)18-25-26-21-11-6-7-12-22(21)27(25)15-8-16-30-20-9-4-3-5-10-20/h3-7,9-14,17H,8,15-16,18H2,1-2H3
InChIKeyGKYKBIKWLIHPFM-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.11
Rot. Bonds9

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

2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole (PubChem CID 18878538) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
PubChem CID18878538
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2CCCOc2ccccc2)cc1OC
InChIInChI=1S/C25H26N2O3/c1-28-23-14-13-19(17-24(23)29-2)18-25-26-21-11-6-7-12-22(21)27(25)15-8-16-30-20-9-4-3-5-10-20/h3-7,9-14,17H,8,15-16,18H2,1-2H3
InChIKeyGKYKBIKWLIHPFM-UHFFFAOYSA-N
XLogP5.11
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole
CID 3160716
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 18878535
2-[(3,4-dimethoxyphenyl)methyl]-1-octadecylbenzimidazole
CID 18878488
2-[(3,4-dimethoxyphenyl)methyl]-1-octylbenzimidazole
CID 18878494
1-[2-(2-chlorophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 18878525
2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879090
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
2-benzyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995600
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
1-[4-(2,4-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995939

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole (CID 18878538) is 2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole is COc1ccc(Cc2nc3ccccc3n2CCCOc2ccccc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole?
The InChIKey is GKYKBIKWLIHPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-28-23-14-13-19(17-24(23)29-2)18-25-26-21-11-6-7-12-22(21)27(25)15-8-16-30-20-9-4-3-5-10-20/h3-7,9-14,17H,8,15-16,18H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole?
2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole has a molecular weight of 402.49 g/mol, XLogP of 5.11, 9 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-(3-phenoxypropyl)benzimidazole is sourced from PubChem (CID 18878538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).