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

C23H21ClN2O — CID 18878785

IUPAC2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
SMILESCc1ccccc1OCCCn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C23H21ClN2O/c1-17-9-2-7-14-22(17)27-16-8-15-26-21-13-6-5-12-20(21)25-23(26)18-10-3-4-11-19(18)24/h2-7,9-14H,8,15-16H2,1H3
InChIKeyLWRQVYUGNLVVGW-UHFFFAOYSA-N
MW376.89 g/mol
LogP6.13
Rot. Bonds6

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

2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole (PubChem CID 18878785) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
PubChem CID18878785
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
SMILESCc1ccccc1OCCCn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C23H21ClN2O/c1-17-9-2-7-14-22(17)27-16-8-15-26-21-13-6-5-12-20(21)25-23(26)18-10-3-4-11-19(18)24/h2-7,9-14H,8,15-16H2,1H3
InChIKeyLWRQVYUGNLVVGW-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-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 17002142
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 17002166
2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
CID 17000668
2-(2-chlorophenyl)-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 17002171
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 17002176
2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 16987747
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 5136193

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole (CID 18878785) is 2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole is Cc1ccccc1OCCCn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole?
The InChIKey is LWRQVYUGNLVVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-17-9-2-7-14-22(17)27-16-8-15-26-21-13-6-5-12-20(21)25-23(26)18-10-3-4-11-19(18)24/h2-7,9-14H,8,15-16H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole?
2-(2-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-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 18878785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).