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

C25H26N2O — CID 17000668

IUPAC1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
SMILESCc1ccc(C)c(OCCCn2c(-c3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O/c1-18-13-14-20(3)24(17-18)28-16-8-15-27-23-12-7-6-11-22(23)26-25(27)21-10-5-4-9-19(21)2/h4-7,9-14,17H,8,15-16H2,1-3H3
InChIKeySVBNDZRJOVTCAL-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.10
Rot. Bonds6

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

1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole (PubChem CID 17000668) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
PubChem CID17000668
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
SMILESCc1ccc(C)c(OCCCn2c(-c3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O/c1-18-13-14-20(3)24(17-18)28-16-8-15-27-23-12-7-6-11-22(23)26-25(27)21-10-5-4-9-19(21)2/h4-7,9-14,17H,8,15-16H2,1-3H3
InChIKeySVBNDZRJOVTCAL-UHFFFAOYSA-N
XLogP6.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
CID 18879213
2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol
CID 19242272
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16987594
2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16987595
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 16987564
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998007
1-[3-(2,5-dimethylphenoxy)propyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877957

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole?
The IUPAC name of 1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole (CID 17000668) is 1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole?
The canonical SMILES for 1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole is Cc1ccc(C)c(OCCCn2c(-c3ccccc3C)nc3ccccc32)c1.
What is the InChIKey of 1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole?
The InChIKey is SVBNDZRJOVTCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-18-13-14-20(3)24(17-18)28-16-8-15-27-23-12-7-6-11-22(23)26-25(27)21-10-5-4-9-19(21)2/h4-7,9-14,17H,8,15-16H2,1-3H3.
What are the key properties of 1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole?
1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole has a molecular weight of 370.50 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 17000668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).