2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride

C23H16Cl4N2O2 — CID 131883283

IUPAC2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1Cl)C(Oc1ccc(-c2ccc(Cl)cc2)cc1)n1ccnc1
InChIInChI=1S/C23H15Cl3N2O2.ClH/c24-17-5-1-15(2-6-17)16-3-8-19(9-4-16)30-23(28-12-11-27-14-28)22(29)20-10-7-18(25)13-21(20)26;/h1-14,23H;1H
InChIKeyIZPMAUBGKTWJIU-UHFFFAOYSA-N
MW494.21 g/mol
LogP7.39
Rot. Bonds6

About 2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride

2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride (PubChem CID 131883283) has the molecular formula C23H16Cl4N2O2 and a molecular weight of 494.21 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride
PubChem CID131883283
Molecular FormulaC23H16Cl4N2O2
Molecular Weight494.21 g/mol
Exact Mass492.00
IUPAC Name2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1Cl)C(Oc1ccc(-c2ccc(Cl)cc2)cc1)n1ccnc1
InChIInChI=1S/C23H15Cl3N2O2.ClH/c24-17-5-1-15(2-6-17)16-3-8-19(9-4-16)30-23(28-12-11-27-14-28)22(29)20-10-7-18(25)13-21(20)26;/h1-14,23H;1H
InChIKeyIZPMAUBGKTWJIU-UHFFFAOYSA-N
XLogP7.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.21
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone
CID 154393473
1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one
CID 122173815
4-(4-chlorophenoxy)-2,2-diethyl-4-imidazol-1-yl-3-oxobutanoic acid
CID 20538649
2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone
CID 86098425
[4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] tetradecanoate
CID 21319188
ethyl 4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-oxobutanoate
CID 54262414
4-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)pentane-1,3-dione
CID 23625915
[4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] 2-methylprop-2-enoate
CID 23350041
1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 166732164
1-[1-(2,4-dichlorophenyl)-2-[2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 139707946
1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole
CID 174936173
1-[1-(4-chlorophenoxy)butyl]imidazole
CID 70528757

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride?
The IUPAC name of 2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride (CID 131883283) is 2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride is Cl.O=C(c1ccc(Cl)cc1Cl)C(Oc1ccc(-c2ccc(Cl)cc2)cc1)n1ccnc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride?
The InChIKey is IZPMAUBGKTWJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3N2O2.ClH/c24-17-5-1-15(2-6-17)16-3-8-19(9-4-16)30-23(28-12-11-27-14-28)22(29)20-10-7-18(25)13-21(20)26;/h1-14,23H;1H.
What are the key properties of 2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride?
2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride has a molecular weight of 494.21 g/mol, XLogP of 7.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride is sourced from PubChem (CID 131883283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).