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

C25H26N2O — CID 17000799

IUPAC1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2CCCOc2ccc(C)cc2C)c1
InChIInChI=1S/C25H26N2O/c1-18-8-6-9-21(17-18)25-26-22-10-4-5-11-23(22)27(25)14-7-15-28-24-13-12-19(2)16-20(24)3/h4-6,8-13,16-17H,7,14-15H2,1-3H3
InChIKeyRPCSJTBUMPFXEJ-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.10
Rot. Bonds6

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

1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole (PubChem CID 17000799) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
PubChem CID17000799
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2CCCOc2ccc(C)cc2C)c1
InChIInChI=1S/C25H26N2O/c1-18-8-6-9-21(17-18)25-26-22-10-4-5-11-23(22)27(25)14-7-15-28-24-13-12-19(2)16-20(24)3/h4-6,8-13,16-17H,7,14-15H2,1-3H3
InChIKeyRPCSJTBUMPFXEJ-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

1-[4-(2,4-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000824
1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole
CID 17000547
2-(3,4-dimethoxyphenyl)-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 17001460
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 17000802
2-tert-butyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 17000411
1-[3-(2,4-dimethylphenoxy)propyl]-2-thiophen-2-ylbenzimidazole
CID 17000296
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
CID 18879096
2-benzyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 16995586
2-(3-methylphenyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17000779

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole?
The IUPAC name of 1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole (CID 17000799) is 1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole?
The canonical SMILES for 1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole is Cc1cccc(-c2nc3ccccc3n2CCCOc2ccc(C)cc2C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole?
The InChIKey is RPCSJTBUMPFXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-18-8-6-9-21(17-18)25-26-22-10-4-5-11-23(22)27(25)14-7-15-28-24-13-12-19(2)16-20(24)3/h4-6,8-13,16-17H,7,14-15H2,1-3H3.
What are the key properties of 1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole?
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-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-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole is sourced from PubChem (CID 17000799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).