2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole

C26H27ClN2O — CID 16995768

IUPAC2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
SMILESCc1ccc(OCCCCn2c(Cc3ccccc3Cl)nc3ccccc32)cc1C
InChIInChI=1S/C26H27ClN2O/c1-19-13-14-22(17-20(19)2)30-16-8-7-15-29-25-12-6-5-11-24(25)28-26(29)18-21-9-3-4-10-23(21)27/h3-6,9-14,17H,7-8,15-16,18H2,1-2H3
InChIKeyFQNVCZCLRODDMO-UHFFFAOYSA-N
MW418.97 g/mol
LogP6.76
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole

2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole (PubChem CID 16995768) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
PubChem CID16995768
Molecular FormulaC26H27ClN2O
Molecular Weight418.97 g/mol
Exact Mass418.18
IUPAC Name2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
SMILESCc1ccc(OCCCCn2c(Cc3ccccc3Cl)nc3ccccc32)cc1C
InChIInChI=1S/C26H27ClN2O/c1-19-13-14-22(17-20(19)2)30-16-8-7-15-29-25-12-6-5-11-24(25)28-26(29)18-21-9-3-4-10-23(21)27/h3-6,9-14,17H,7-8,15-16,18H2,1-2H3
InChIKeyFQNVCZCLRODDMO-UHFFFAOYSA-N
XLogP6.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 56.76
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-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole
CID 16995771
2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16995754
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16995769
2-(2-chlorophenyl)-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 17002171
2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 16995725
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(2-chlorophenyl)acetamide
CID 16985303
1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242980
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16997226
2-[(2-chlorophenyl)methyl]-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 16995718
1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995937

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole (CID 16995768) is 2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole is Cc1ccc(OCCCCn2c(Cc3ccccc3Cl)nc3ccccc32)cc1C.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole?
The InChIKey is FQNVCZCLRODDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O/c1-19-13-14-22(17-20(19)2)30-16-8-7-15-29-25-12-6-5-11-24(25)28-26(29)18-21-9-3-4-10-23(21)27/h3-6,9-14,17H,7-8,15-16,18H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole?
2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole has a molecular weight of 418.97 g/mol, XLogP of 6.76, 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-(3,4-dimethylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16995768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).