1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole

C25H26N2O2 — CID 17001345

IUPAC1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2CCCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H26N2O2/c1-18-15-19(2)17-22(16-18)29-14-6-13-27-24-8-5-4-7-23(24)26-25(27)20-9-11-21(28-3)12-10-20/h4-5,7-12,15-17H,6,13-14H2,1-3H3
InChIKeyHXIKMFZIQMGJHA-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.80
Rot. Bonds7

About 1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole

1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole (PubChem CID 17001345) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
PubChem CID17001345
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2CCCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H26N2O2/c1-18-15-19(2)17-22(16-18)29-14-6-13-27-24-8-5-4-7-23(24)26-25(27)20-9-11-21(28-3)12-10-20/h4-5,7-12,15-17H,6,13-14H2,1-3H3
InChIKeyHXIKMFZIQMGJHA-UHFFFAOYSA-N
XLogP5.80
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 ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001338

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole (CID 17001345) is 1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole is COc1ccc(-c2nc3ccccc3n2CCCOc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole?
The InChIKey is HXIKMFZIQMGJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-15-19(2)17-22(16-18)29-14-6-13-27-24-8-5-4-7-23(24)26-25(27)20-9-11-21(28-3)12-10-20/h4-5,7-12,15-17H,6,13-14H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole?
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 17001345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).