1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole

C25H21Cl5N2O — CID 173456025

IUPAC1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole
SMILESClc1ccc(CN2C=CN(C(Cl)C(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H21Cl5N2O/c26-20-6-1-17(2-7-20)14-31-11-12-32(16-31)25(30)24(18-3-8-21(27)9-4-18)33-15-19-5-10-22(28)13-23(19)29/h1-13,24-25H,14-16H2
InChIKeyHKMPFGQFDQFDHF-UHFFFAOYSA-N
MW542.72 g/mol
LogP8.37
Rot. Bonds8

About 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole

1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole (PubChem CID 173456025) has the molecular formula C25H21Cl5N2O and a molecular weight of 542.72 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole.

Molecular Properties

Compound Name1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole
PubChem CID173456025
Molecular FormulaC25H21Cl5N2O
Molecular Weight542.72 g/mol
Exact Mass540.01
IUPAC Name1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole
SMILESClc1ccc(CN2C=CN(C(Cl)C(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H21Cl5N2O/c26-20-6-1-17(2-7-20)14-31-11-12-32(16-31)25(30)24(18-3-8-21(27)9-4-18)33-15-19-5-10-22(28)13-23(19)29/h1-13,24-25H,14-16H2
InChIKeyHKMPFGQFDQFDHF-UHFFFAOYSA-N
XLogP8.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.72
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-chlorophenyl)ethanone;hydrobromide
CID 173455536
1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-2H-imidazole;hydrochloride
CID 173455838
1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride
CID 173462726
1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-(2-phenylethyl)-2H-imidazole;nitric acid
CID 173455981
2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide
CID 173456151
1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-(2-naphthalen-2-yloxyethyl)-2H-imidazole;hydrate;hydrobromide
CID 173456063
2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 173455955
1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-(3-naphthalen-2-yloxypropyl)-2H-imidazole;hydrate;hydrochloride
CID 173455637
1-[(2-butoxy-4-nitrophenyl)methyl]-3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrobromide
CID 173455800
2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-phenylpentan-1-one
CID 173458090
N-benzyl-2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]propanamide
CID 173455589
2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-phenylpropanamide;hydrobromide
CID 173455591

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole?
The IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole (CID 173456025) is 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole.
What is the SMILES notation for 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole?
The canonical SMILES for 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole is Clc1ccc(CN2C=CN(C(Cl)C(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole?
The InChIKey is HKMPFGQFDQFDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl5N2O/c26-20-6-1-17(2-7-20)14-31-11-12-32(16-31)25(30)24(18-3-8-21(27)9-4-18)33-15-19-5-10-22(28)13-23(19)29/h1-13,24-25H,14-16H2.
What are the key properties of 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole?
1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole has a molecular weight of 542.72 g/mol, XLogP of 8.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole is sourced from PubChem (CID 173456025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).