2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole

C25H26N2O — CID 16987594

IUPAC2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
SMILESCc1cccc(OCCCn2c(-c3ccc(C)cc3C)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O/c1-18-8-6-9-21(17-18)28-15-7-14-27-24-11-5-4-10-23(24)26-25(27)22-13-12-19(2)16-20(22)3/h4-6,8-13,16-17H,7,14-15H2,1-3H3
InChIKeyYOHVSYLRHFNCMJ-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.10
Rot. Bonds6

About 2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole

2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole (PubChem CID 16987594) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
PubChem CID16987594
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
SMILESCc1cccc(OCCCn2c(-c3ccc(C)cc3C)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O/c1-18-8-6-9-21(17-18)28-15-7-14-27-24-11-5-4-10-23(24)26-25(27)22-13-12-19(2)16-20(22)3/h4-6,8-13,16-17H,7,14-15H2,1-3H3
InChIKeyYOHVSYLRHFNCMJ-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-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16987595
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
CID 17000668
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 16987564
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
1-[4-(2,4-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000824
1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000282
1-[3-(3-methylphenoxy)propyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999387
2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 18878460

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole (CID 16987594) is 2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole is Cc1cccc(OCCCn2c(-c3ccc(C)cc3C)nc3ccccc32)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole?
The InChIKey is YOHVSYLRHFNCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-18-8-6-9-21(17-18)28-15-7-14-27-24-11-5-4-10-23(24)26-25(27)22-13-12-19(2)16-20(22)3/h4-6,8-13,16-17H,7,14-15H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole?
2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]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 2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16987594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).