N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide

C19H22F3N3O2 — CID 17344728

IUPACN-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide
SMILESCC1=NC(NC(=O)c2ccccc2C)(C(F)(F)F)C(=O)N1C1CCCCC1
InChIInChI=1S/C19H22F3N3O2/c1-12-8-6-7-11-15(12)16(26)24-18(19(20,21)22)17(27)25(13(2)23-18)14-9-4-3-5-10-14/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,24,26)
InChIKeyVSIXWKQVJOBUNR-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.58
Rot. Bonds3

About N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide

N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide (PubChem CID 17344728) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide
PubChem CID17344728
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide
SMILESCC1=NC(NC(=O)c2ccccc2C)(C(F)(F)F)C(=O)N1C1CCCCC1
InChIInChI=1S/C19H22F3N3O2/c1-12-8-6-7-11-15(12)16(26)24-18(19(20,21)22)17(27)25(13(2)23-18)14-9-4-3-5-10-14/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,24,26)
InChIKeyVSIXWKQVJOBUNR-UHFFFAOYSA-N
XLogP3.58
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506287
N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 51506909
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
CID 17344373
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
CID 16764273
N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
CID 29074607
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide
CID 17344467
2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344708
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide
CID 17344621
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344609
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide (CID 17344728) is N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide is CC1=NC(NC(=O)c2ccccc2C)(C(F)(F)F)C(=O)N1C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide?
The InChIKey is VSIXWKQVJOBUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-12-8-6-7-11-15(12)16(26)24-18(19(20,21)22)17(27)25(13(2)23-18)14-9-4-3-5-10-14/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,24,26).
What are the key properties of N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide?
N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide has a molecular weight of 381.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide is sourced from PubChem (CID 17344728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).