2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole

C24H22Cl2N2O — CID 16987724

IUPAC2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCC(C)c1ccccc1OCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C24H22Cl2N2O/c1-16(2)18-7-3-6-10-23(18)29-14-13-28-22-9-5-4-8-21(22)27-24(28)19-12-11-17(25)15-20(19)26/h3-12,15-16H,13-14H2,1-2H3
InChIKeyOLEMTAXCMXHUKB-UHFFFAOYSA-N
MW425.36 g/mol
LogP7.21
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole

2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole (PubChem CID 16987724) has the molecular formula C24H22Cl2N2O and a molecular weight of 425.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole
PubChem CID16987724
Molecular FormulaC24H22Cl2N2O
Molecular Weight425.36 g/mol
Exact Mass424.11
IUPAC Name2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCC(C)c1ccccc1OCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C24H22Cl2N2O/c1-16(2)18-7-3-6-10-23(18)29-14-13-28-22-9-5-4-8-21(22)27-24(28)19-12-11-17(25)15-20(19)26/h3-12,15-16H,13-14H2,1-2H3
InChIKeyOLEMTAXCMXHUKB-UHFFFAOYSA-N
XLogP7.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.36
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16987769
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 16987747
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 16987795
2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 16987564
2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16987792
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 17000802
2-(2,4-dichlorophenyl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 16987782
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(3-methylphenyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17000779
2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 19243170

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole (CID 16987724) is 2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole is CC(C)c1ccccc1OCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole?
The InChIKey is OLEMTAXCMXHUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O/c1-16(2)18-7-3-6-10-23(18)29-14-13-28-22-9-5-4-8-21(22)27-24(28)19-12-11-17(25)15-20(19)26/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole?
2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole has a molecular weight of 425.36 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16987724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).