1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone

C18H13Cl2FN2O2 — CID 154393473

IUPAC1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone
SMILESCc1cc(F)ccc1OC(C(=O)c1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C18H13Cl2FN2O2/c1-11-8-13(21)3-5-16(11)25-18(23-7-6-22-10-23)17(24)14-4-2-12(19)9-15(14)20/h2-10,18H,1H3
InChIKeyHBDPLQHPABUHBA-UHFFFAOYSA-N
MW379.22 g/mol
LogP5.10
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone

1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone (PubChem CID 154393473) has the molecular formula C18H13Cl2FN2O2 and a molecular weight of 379.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone
PubChem CID154393473
Molecular FormulaC18H13Cl2FN2O2
Molecular Weight379.22 g/mol
Exact Mass378.03
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone
SMILESCc1cc(F)ccc1OC(C(=O)c1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C18H13Cl2FN2O2/c1-11-8-13(21)3-5-16(11)25-18(23-7-6-22-10-23)17(24)14-4-2-12(19)9-15(14)20/h2-10,18H,1H3
InChIKeyHBDPLQHPABUHBA-UHFFFAOYSA-N
XLogP5.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.22
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride
CID 131883283
1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone
CID 20574483
2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567423
1-(2,4-dichlorophenyl)-2-(2-fluoro-5-methylphenoxy)propan-1-one
CID 64854263
2-bromo-1-(2,4-dichlorophenyl)-2-(4-iodo-2-methylphenoxy)ethanone
CID 20574466
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
CID 107659489
(2,4,6-trichlorophenyl) 2-imidazol-1-ylpropanoate
CID 15284861
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
4-(4-chlorophenoxy)-2,2-diethyl-4-imidazol-1-yl-3-oxobutanoic acid
CID 20538649
4-(4-fluorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutanoic acid
CID 20538663
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43232316

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone (CID 154393473) is 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone is Cc1cc(F)ccc1OC(C(=O)c1ccc(Cl)cc1Cl)n1ccnc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone?
The InChIKey is HBDPLQHPABUHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2/c1-11-8-13(21)3-5-16(11)25-18(23-7-6-22-10-23)17(24)14-4-2-12(19)9-15(14)20/h2-10,18H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone?
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone has a molecular weight of 379.22 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone is sourced from PubChem (CID 154393473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).