2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole

C24H23ClN2O — CID 17002142

IUPAC2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
SMILESCc1cccc(C)c1OCCCn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C24H23ClN2O/c1-17-9-7-10-18(2)23(17)28-16-8-15-27-22-14-6-5-13-21(22)26-24(27)19-11-3-4-12-20(19)25/h3-7,9-14H,8,15-16H2,1-2H3
InChIKeyDQEHPWVSURVMDN-UHFFFAOYSA-N
MW390.91 g/mol
LogP6.44
Rot. Bonds6

About 2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole

2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole (PubChem CID 17002142) has the molecular formula C24H23ClN2O and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
PubChem CID17002142
Molecular FormulaC24H23ClN2O
Molecular Weight390.91 g/mol
Exact Mass390.15
IUPAC Name2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
SMILESCc1cccc(C)c1OCCCn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C24H23ClN2O/c1-17-9-7-10-18(2)23(17)28-16-8-15-27-22-14-6-5-13-21(22)26-24(27)19-11-3-4-12-20(19)25/h3-7,9-14H,8,15-16H2,1-2H3
InChIKeyDQEHPWVSURVMDN-UHFFFAOYSA-N
XLogP6.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 56.44
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-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 16987747
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
2-(2-chlorophenyl)-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 17002171
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 17002176
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 5136193
1-[4-(2,6-dimethylphenoxy)butyl]-2-(4-fluorophenyl)benzimidazole
CID 19243167
2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16987769
2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 17002166

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole (CID 17002142) is 2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole is Cc1cccc(C)c1OCCCn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole?
The InChIKey is DQEHPWVSURVMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O/c1-17-9-7-10-18(2)23(17)28-16-8-15-27-22-14-6-5-13-21(22)26-24(27)19-11-3-4-12-20(19)25/h3-7,9-14H,8,15-16H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole?
2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole has a molecular weight of 390.91 g/mol, XLogP of 6.44, 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-(2,6-dimethylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 17002142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).