2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole

C26H20Cl2N2O — CID 16987769

IUPAC2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2CCCOc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C26H20Cl2N2O/c27-19-13-14-21(22(28)17-19)26-29-23-10-3-4-11-24(23)30(26)15-6-16-31-25-12-5-8-18-7-1-2-9-20(18)25/h1-5,7-14,17H,6,15-16H2
InChIKeyKTCURNVCQXXGJZ-UHFFFAOYSA-N
MW447.37 g/mol
LogP7.63
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole

2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole (PubChem CID 16987769) has the molecular formula C26H20Cl2N2O and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
PubChem CID16987769
Molecular FormulaC26H20Cl2N2O
Molecular Weight447.37 g/mol
Exact Mass446.10
IUPAC Name2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2CCCOc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C26H20Cl2N2O/c27-19-13-14-21(22(28)17-19)26-29-23-10-3-4-11-24(23)30(26)15-6-16-31-25-12-5-8-18-7-1-2-9-20(18)25/h1-5,7-14,17H,6,15-16H2
InChIKeyKTCURNVCQXXGJZ-UHFFFAOYSA-N
XLogP7.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.37
LogP ≤ 57.63
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-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879150
2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16987724
2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 16987710
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16987792
2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 17002142
2-(2,4-dichlorophenyl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 16987782
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 16987795
2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16999005

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole (CID 16987769) is 2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole is Clc1ccc(-c2nc3ccccc3n2CCCOc2cccc3ccccc23)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
The InChIKey is KTCURNVCQXXGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O/c27-19-13-14-21(22(28)17-19)26-29-23-10-3-4-11-24(23)30(26)15-6-16-31-25-12-5-8-18-7-1-2-9-20(18)25/h1-5,7-14,17H,6,15-16H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole has a molecular weight of 447.37 g/mol, XLogP of 7.63, 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-naphthalen-1-yloxypropyl)benzimidazole is sourced from PubChem (CID 16987769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).