2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole

C26H25ClN2O — CID 17002166

IUPAC2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
SMILESC=CCc1ccccc1OCCCCn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C26H25ClN2O/c1-2-11-20-12-3-8-17-25(20)30-19-10-9-18-29-24-16-7-6-15-23(24)28-26(29)21-13-4-5-14-22(21)27/h2-8,12-17H,1,9-11,18-19H2
InChIKeyWBCFKNFWCRHRRO-UHFFFAOYSA-N
MW416.95 g/mol
LogP6.94
Rot. Bonds9

About 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole

2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole (PubChem CID 17002166) has the molecular formula C26H25ClN2O and a molecular weight of 416.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
PubChem CID17002166
Molecular FormulaC26H25ClN2O
Molecular Weight416.95 g/mol
Exact Mass416.17
IUPAC Name2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
SMILESC=CCc1ccccc1OCCCCn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C26H25ClN2O/c1-2-11-20-12-3-8-17-25(20)30-19-10-9-18-29-24-16-7-6-15-23(24)28-26(29)21-13-4-5-14-22(21)27/h2-8,12-17H,1,9-11,18-19H2
InChIKeyWBCFKNFWCRHRRO-UHFFFAOYSA-N
XLogP6.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 19243390
2-(3-chlorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17002028
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001338
2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 17000165
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996797
2-(2,4-dichlorophenyl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 16987782
2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 17002176
2-(2-chlorophenyl)-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 17002171
1-(2-chlorophenyl)-4-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003544
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole (CID 17002166) is 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole is C=CCc1ccccc1OCCCCn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole?
The InChIKey is WBCFKNFWCRHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O/c1-2-11-20-12-3-8-17-25(20)30-19-10-9-18-29-24-16-7-6-15-23(24)28-26(29)21-13-4-5-14-22(21)27/h2-8,12-17H,1,9-11,18-19H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole?
2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole has a molecular weight of 416.95 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 17002166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).