2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole

C23H21ClN2O — CID 18879129

IUPAC2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2CCCCOc2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O/c24-19-14-12-18(13-15-19)23-25-21-10-4-5-11-22(21)26(23)16-6-7-17-27-20-8-2-1-3-9-20/h1-5,8-15H,6-7,16-17H2
InChIKeyYBGUTYPGQSVSIT-UHFFFAOYSA-N
MW376.89 g/mol
LogP6.22
Rot. Bonds7

About 2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole

2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole (PubChem CID 18879129) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
PubChem CID18879129
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2CCCCOc2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O/c24-19-14-12-18(13-15-19)23-25-21-10-4-5-11-22(21)26(23)16-6-7-17-27-20-8-2-1-3-9-20/h1-5,8-15H,6-7,16-17H2
InChIKeyYBGUTYPGQSVSIT-UHFFFAOYSA-N
XLogP6.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 56.22
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-(4-tert-butylphenyl)-1-(4-phenoxybutyl)benzimidazole
CID 84571497
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
CID 17002067
2-(4-tert-butylphenyl)-1-[3-(4-chlorophenoxy)propyl]benzimidazole
CID 84571493
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548
1-[4-(2-chlorophenoxy)butyl]-2-(4-chlorophenyl)benzimidazole
CID 17001082
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 17000955
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242419
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole (CID 18879129) is 2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole is Clc1ccc(-c2nc3ccccc3n2CCCCOc2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole?
The InChIKey is YBGUTYPGQSVSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c24-19-14-12-18(13-15-19)23-25-21-10-4-5-11-22(21)26(23)16-6-7-17-27-20-8-2-1-3-9-20/h1-5,8-15H,6-7,16-17H2.
What are the key properties of 2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole?
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole has a molecular weight of 376.89 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole is sourced from PubChem (CID 18879129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).