2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole

C25H26N2O4 — CID 17001455

IUPAC2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1ccc(OCCCn2c(-c3ccc(OC)c(OC)c3)nc3ccccc32)cc1
InChIInChI=1S/C25H26N2O4/c1-28-19-10-12-20(13-11-19)31-16-6-15-27-22-8-5-4-7-21(22)26-25(27)18-9-14-23(29-2)24(17-18)30-3/h4-5,7-14,17H,6,15-16H2,1-3H3
InChIKeyYXXFMLKGSSNCLF-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.20
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole

2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole (PubChem CID 17001455) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
PubChem CID17001455
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1ccc(OCCCn2c(-c3ccc(OC)c(OC)c3)nc3ccccc32)cc1
InChIInChI=1S/C25H26N2O4/c1-28-19-10-12-20(13-11-19)31-16-6-15-27-22-8-5-4-7-21(22)26-25(27)18-9-14-23(29-2)24(17-18)30-3/h4-5,7-14,17H,6,15-16H2,1-3H3
InChIKeyYXXFMLKGSSNCLF-UHFFFAOYSA-N
XLogP5.20
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-chloro-3-methylphenoxy)propyl]-2-(3,4-dimethoxyphenyl)benzimidazole
CID 17001450
2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17001430
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
2-(3,4-dimethoxyphenyl)-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 17001460
2-(4-methoxyphenyl)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001340
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole (CID 17001455) is 2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole is COc1ccc(OCCCn2c(-c3ccc(OC)c(OC)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
The InChIKey is YXXFMLKGSSNCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-28-19-10-12-20(13-11-19)31-16-6-15-27-22-8-5-4-7-21(22)26-25(27)18-9-14-23(29-2)24(17-18)30-3/h4-5,7-14,17H,6,15-16H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole has a molecular weight of 418.49 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole is sourced from PubChem (CID 17001455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).