2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide

C18H12Cl2F3N3O2 — CID 3919066

IUPAC2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
SMILESCc1ccc(C2=NC(NC(=O)c3ccc(Cl)cc3Cl)(C(F)(F)F)C(=O)N2)cc1
InChIInChI=1S/C18H12Cl2F3N3O2/c1-9-2-4-10(5-3-9)14-24-16(28)17(25-14,18(21,22)23)26-15(27)12-7-6-11(19)8-13(12)20/h2-8H,1H3,(H,26,27)(H,24,25,28)
InChIKeyAFJSZVZVYQRNJV-UHFFFAOYSA-N
MW430.21 g/mol
LogP3.87
Rot. Bonds3

About 2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide

2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide (PubChem CID 3919066) has the molecular formula C18H12Cl2F3N3O2 and a molecular weight of 430.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
PubChem CID3919066
Molecular FormulaC18H12Cl2F3N3O2
Molecular Weight430.21 g/mol
Exact Mass429.03
IUPAC Name2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
SMILESCc1ccc(C2=NC(NC(=O)c3ccc(Cl)cc3Cl)(C(F)(F)F)C(=O)N2)cc1
InChIInChI=1S/C18H12Cl2F3N3O2/c1-9-2-4-10(5-3-9)14-24-16(28)17(25-14,18(21,22)23)26-15(27)12-7-6-11(19)8-13(12)20/h2-8H,1H3,(H,26,27)(H,24,25,28)
InChIKeyAFJSZVZVYQRNJV-UHFFFAOYSA-N
XLogP3.87
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.21
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 5348678
2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3934217
4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
CID 2962129
2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110443081
2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide
CID 1187146
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
2,4-dichloro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 9203694

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide (CID 3919066) is 2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide is Cc1ccc(C2=NC(NC(=O)c3ccc(Cl)cc3Cl)(C(F)(F)F)C(=O)N2)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The InChIKey is AFJSZVZVYQRNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N3O2/c1-9-2-4-10(5-3-9)14-24-16(28)17(25-14,18(21,22)23)26-15(27)12-7-6-11(19)8-13(12)20/h2-8H,1H3,(H,26,27)(H,24,25,28).
What are the key properties of 2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide has a molecular weight of 430.21 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide is sourced from PubChem (CID 3919066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).