1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

C24H19Cl3N2O — CID 51001700

IUPAC1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc(-c2ccc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H19Cl3N2O/c25-20-7-5-19(6-8-20)18-3-1-17(2-4-18)15-30-24(14-29-12-11-28-16-29)22-10-9-21(26)13-23(22)27/h1-13,16,24H,14-15H2
InChIKeyBUSGQNFYMRKXMQ-UHFFFAOYSA-N
MW457.79 g/mol
LogP7.47
Rot. Bonds7

About 1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole (PubChem CID 51001700) has the molecular formula C24H19Cl3N2O and a molecular weight of 457.79 g/mol. Its IUPAC name is 1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
PubChem CID51001700
Molecular FormulaC24H19Cl3N2O
Molecular Weight457.79 g/mol
Exact Mass456.06
IUPAC Name1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc(-c2ccc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H19Cl3N2O/c25-20-7-5-19(6-8-20)18-3-1-17(2-4-18)15-30-24(14-29-12-11-28-16-29)22-10-9-21(26)13-23(22)27/h1-13,16,24H,14-15H2
InChIKeyBUSGQNFYMRKXMQ-UHFFFAOYSA-N
XLogP7.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.79
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 70595520
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
CID 167507029
5-[3-[4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]phenyl]phenyl]-2H-tetrazole
CID 51001699
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid
CID 162318190
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
CID 3054902
1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
1-[(2R)-2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 76963410
1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride
CID 18615661
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride
CID 21393926

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The IUPAC name of 1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole (CID 51001700) is 1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole is Clc1ccc(-c2ccc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of 1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The InChIKey is BUSGQNFYMRKXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3N2O/c25-20-7-5-19(6-8-20)18-3-1-17(2-4-18)15-30-24(14-29-12-11-28-16-29)22-10-9-21(26)13-23(22)27/h1-13,16,24H,14-15H2.
What are the key properties of 1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole has a molecular weight of 457.79 g/mol, XLogP of 7.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole is sourced from PubChem (CID 51001700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).