2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole

C24H23ClN2O — CID 16995754

IUPAC2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
SMILESClc1ccccc1Cc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C24H23ClN2O/c25-21-13-5-4-10-19(21)18-24-26-22-14-6-7-15-23(22)27(24)16-8-9-17-28-20-11-2-1-3-12-20/h1-7,10-15H,8-9,16-18H2
InChIKeyWDRYQJSOSHMQEC-UHFFFAOYSA-N
MW390.91 g/mol
LogP6.14
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole

2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole (PubChem CID 16995754) has the molecular formula C24H23ClN2O and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
PubChem CID16995754
Molecular FormulaC24H23ClN2O
Molecular Weight390.91 g/mol
Exact Mass390.15
IUPAC Name2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
SMILESClc1ccccc1Cc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C24H23ClN2O/c25-21-13-5-4-10-19(21)18-24-26-22-14-6-7-15-23(22)27(24)16-8-9-17-28-20-11-2-1-3-12-20/h1-7,10-15H,8-9,16-18H2
InChIKeyWDRYQJSOSHMQEC-UHFFFAOYSA-N
XLogP6.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 56.14
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-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 16995725
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16995769
1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole
CID 16995771
2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 16995768
2-[(2-chlorophenyl)methyl]-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 16995718
[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
CID 2945062
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
CID 16995695
2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997233
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
2-(azepan-1-ylmethyl)-1-(4-phenoxybutyl)benzimidazole
CID 18885402
2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242419

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole (CID 16995754) is 2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole is Clc1ccccc1Cc1nc2ccccc2n1CCCCOc1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole?
The InChIKey is WDRYQJSOSHMQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O/c25-21-13-5-4-10-19(21)18-24-26-22-14-6-7-15-23(22)27(24)16-8-9-17-28-20-11-2-1-3-12-20/h1-7,10-15H,8-9,16-18H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole?
2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole has a molecular weight of 390.91 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole is sourced from PubChem (CID 16995754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).