1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole

C25H26N2O — CID 17000547

IUPAC1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole
SMILESCc1ccc(OCCCCn2c(-c3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H26N2O/c1-19-14-15-24(20(2)18-19)28-17-9-8-16-27-23-13-7-6-12-22(23)26-25(27)21-10-4-3-5-11-21/h3-7,10-15,18H,8-9,16-17H2,1-2H3
InChIKeyOVJLQTPQIYBUKZ-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.18
Rot. Bonds7

About 1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole

1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole (PubChem CID 17000547) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole
PubChem CID17000547
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole
SMILESCc1ccc(OCCCCn2c(-c3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H26N2O/c1-19-14-15-24(20(2)18-19)28-17-9-8-16-27-23-13-7-6-12-22(23)26-25(27)21-10-4-3-5-11-21/h3-7,10-15,18H,8-9,16-17H2,1-2H3
InChIKeyOVJLQTPQIYBUKZ-UHFFFAOYSA-N
XLogP6.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.18
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-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
2-(3,4-dimethoxyphenyl)-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 17001460
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-tert-butyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 17000411
1-[3-(2,4-dimethylphenoxy)propyl]-2-thiophen-2-ylbenzimidazole
CID 17000296
2-benzyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 16995586
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-[4-(2,4-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995939
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000870

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole (CID 17000547) is 1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole is Cc1ccc(OCCCCn2c(-c3ccccc3)nc3ccccc32)c(C)c1.
What is the InChIKey of 1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole?
The InChIKey is OVJLQTPQIYBUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-19-14-15-24(20(2)18-19)28-17-9-8-16-27-23-13-7-6-12-22(23)26-25(27)21-10-4-3-5-11-21/h3-7,10-15,18H,8-9,16-17H2,1-2H3.
What are the key properties of 1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole?
1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole has a molecular weight of 370.50 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole is sourced from PubChem (CID 17000547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).