2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole

C24H22Cl2N2O2 — CID 16997233

IUPAC2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H22Cl2N2O2/c25-18-12-13-23(20(26)16-18)30-17-24-27-21-10-4-5-11-22(21)28(24)14-6-7-15-29-19-8-2-1-3-9-19/h1-5,8-13,16H,6-7,14-15,17H2
InChIKeyDVPYRHRYVAKWOI-UHFFFAOYSA-N
MW441.36 g/mol
LogP6.78
Rot. Bonds9

About 2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole

2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole (PubChem CID 16997233) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
PubChem CID16997233
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H22Cl2N2O2/c25-18-12-13-23(20(26)16-18)30-17-24-27-21-10-4-5-11-22(21)28(24)14-6-7-15-29-19-8-2-1-3-9-19/h1-5,8-13,16H,6-7,14-15,17H2
InChIKeyDVPYRHRYVAKWOI-UHFFFAOYSA-N
XLogP6.78
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 16997248
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219
1-[3-(4-tert-butylphenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997229
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16997226
2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 3107569
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200
2-(naphthalen-1-yloxymethyl)-1-(4-phenoxybutyl)benzimidazole
CID 16999401
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole (CID 16997233) is 2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole is Clc1ccc(OCc2nc3ccccc3n2CCCCOc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole?
The InChIKey is DVPYRHRYVAKWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c25-18-12-13-23(20(26)16-18)30-17-24-27-21-10-4-5-11-22(21)28(24)14-6-7-15-29-19-8-2-1-3-9-19/h1-5,8-13,16H,6-7,14-15,17H2.
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole?
2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole has a molecular weight of 441.36 g/mol, XLogP of 6.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole is sourced from PubChem (CID 16997233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).