4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide

C20H15F6N3O — CID 19927750

IUPAC4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2=NC(c3ccc(C)cc3)=NC2(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C20H15F6N3O/c1-11-3-7-13(8-4-11)15-27-17(18(29-15,19(21,22)23)20(24,25)26)28-16(30)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,27,28,29,30)
InChIKeySLOQPGFLFBHPID-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.76
Rot. Bonds2

About 4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide

4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 19927750) has the molecular formula C20H15F6N3O and a molecular weight of 427.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID19927750
Molecular FormulaC20H15F6N3O
Molecular Weight427.35 g/mol
Exact Mass427.11
IUPAC Name4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2=NC(c3ccc(C)cc3)=NC2(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C20H15F6N3O/c1-11-3-7-13(8-4-11)15-27-17(18(29-15,19(21,22)23)20(24,25)26)28-16(30)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,27,28,29,30)
InChIKeySLOQPGFLFBHPID-UHFFFAOYSA-N
XLogP4.76
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 135517621
2-Fluoro-N-(5-oxo-2-phenyl-4-trifluoromethyl-4,5-dihydro-1H-imidazol-4-yl)-benzamide
CID 579556
2-(4-(Trifluoromethyl)phenyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135741330
(2-fluorophenyl)(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 801421
1-benzoyl-2-phenyl-4,5-dihydro-1H-imidazole
CID 777294
1-(4-fluorobenzoyl)-2-phenyl-4,5-dihydro-1H-imidazole
CID 777298
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
CID 2962120
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide
CID 15987555
N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide
CID 155513647
4-cyano-N-[(4R)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide
CID 10254522
4-cyano-N-[2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide
CID 10096638
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide
CID 15987548

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide (CID 19927750) is 4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide is Cc1ccc(C(=O)NC2=NC(c3ccc(C)cc3)=NC2(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is SLOQPGFLFBHPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3O/c1-11-3-7-13(8-4-11)15-27-17(18(29-15,19(21,22)23)20(24,25)26)28-16(30)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,27,28,29,30).
What are the key properties of 4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide?
4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 427.35 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylphenyl)-5,5-bis(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 19927750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).