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

C23H21ClN2O — CID 17002021

IUPAC2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
SMILESCc1ccccc1OCCCn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C23H21ClN2O/c1-17-8-2-5-13-22(17)27-15-7-14-26-21-12-4-3-11-20(21)25-23(26)18-9-6-10-19(24)16-18/h2-6,8-13,16H,7,14-15H2,1H3
InChIKeyYSKGVTJSGYZUPL-UHFFFAOYSA-N
MW376.89 g/mol
LogP6.13
Rot. Bonds6

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

2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole (PubChem CID 17002021) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
PubChem CID17002021
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
SMILESCc1ccccc1OCCCn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C23H21ClN2O/c1-17-8-2-5-13-22(17)27-15-7-14-26-21-12-4-3-11-20(21)25-23(26)18-9-6-10-19(24)16-18/h2-6,8-13,16H,7,14-15H2,1H3
InChIKeyYSKGVTJSGYZUPL-UHFFFAOYSA-N
XLogP6.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 56.13
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-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
2-(3-chlorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17002028
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
CID 17002067
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
1-[4-(2,4-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000824
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002010
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 17000802

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole (CID 17002021) is 2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole is Cc1ccccc1OCCCn1c(-c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole?
The InChIKey is YSKGVTJSGYZUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-17-8-2-5-13-22(17)27-15-7-14-26-21-12-4-3-11-20(21)25-23(26)18-9-6-10-19(24)16-18/h2-6,8-13,16H,7,14-15H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole?
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole has a molecular weight of 376.89 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 17002021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).