2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole

C24H22Cl2N2O — CID 16987747

IUPAC2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
SMILESCc1cccc(C)c1OCCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C24H22Cl2N2O/c1-16-7-5-8-17(2)23(16)29-14-6-13-28-22-10-4-3-9-21(22)27-24(28)19-12-11-18(25)15-20(19)26/h3-5,7-12,15H,6,13-14H2,1-2H3
InChIKeyWGSXYVCLVCJJJX-UHFFFAOYSA-N
MW425.36 g/mol
LogP7.10
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole

2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole (PubChem CID 16987747) has the molecular formula C24H22Cl2N2O and a molecular weight of 425.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
PubChem CID16987747
Molecular FormulaC24H22Cl2N2O
Molecular Weight425.36 g/mol
Exact Mass424.11
IUPAC Name2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
SMILESCc1cccc(C)c1OCCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C24H22Cl2N2O/c1-16-7-5-8-17(2)23(16)29-14-6-13-28-22-10-4-3-9-21(22)27-24(28)19-12-11-18(25)15-20(19)26/h3-5,7-12,15H,6,13-14H2,1-2H3
InChIKeyWGSXYVCLVCJJJX-UHFFFAOYSA-N
XLogP7.10
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 ≤ 57.10
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-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16987769
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16987792
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16987724
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 16987795
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 16987710
2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16987594
1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 134083955

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole (CID 16987747) is 2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole is Cc1cccc(C)c1OCCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole?
The InChIKey is WGSXYVCLVCJJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O/c1-16-7-5-8-17(2)23(16)29-14-6-13-28-22-10-4-3-9-21(22)27-24(28)19-12-11-18(25)15-20(19)26/h3-5,7-12,15H,6,13-14H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole?
2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole has a molecular weight of 425.36 g/mol, XLogP of 7.10, 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-[3-(2,6-dimethylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16987747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).