2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole

C24H23ClN2O — CID 18878460

IUPAC2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
SMILESCc1cccc(OCCCn2c(Cc3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C24H23ClN2O/c1-18-6-4-7-21(16-18)28-15-5-14-27-23-9-3-2-8-22(23)26-24(27)17-19-10-12-20(25)13-11-19/h2-4,6-13,16H,5,14-15,17H2,1H3
InChIKeyVSEHGTAIZGZSQB-UHFFFAOYSA-N
MW390.91 g/mol
LogP6.06
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole

2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole (PubChem CID 18878460) has the molecular formula C24H23ClN2O and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
PubChem CID18878460
Molecular FormulaC24H23ClN2O
Molecular Weight390.91 g/mol
Exact Mass390.15
IUPAC Name2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
SMILESCc1cccc(OCCCn2c(Cc3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C24H23ClN2O/c1-18-6-4-7-21(16-18)28-15-5-14-27-23-9-3-2-8-22(23)26-24(27)17-19-10-12-20(25)13-11-19/h2-4,6-13,16H,5,14-15,17H2,1H3
InChIKeyVSEHGTAIZGZSQB-UHFFFAOYSA-N
XLogP6.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 56.06
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-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 18878462
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 18878535
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987436
2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879090
2-[(4-chlorophenyl)methyl]-1-[4-(2,3-dimethylphenoxy)butyl]benzimidazole
CID 16995841

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole (CID 18878460) is 2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole is Cc1cccc(OCCCn2c(Cc3ccc(Cl)cc3)nc3ccccc32)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole?
The InChIKey is VSEHGTAIZGZSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O/c1-18-6-4-7-21(16-18)28-15-5-14-27-23-9-3-2-8-22(23)26-24(27)17-19-10-12-20(25)13-11-19/h2-4,6-13,16H,5,14-15,17H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole?
2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole has a molecular weight of 390.91 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 18878460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).