(4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

C15H18F3N3O2 — CID 71450796

IUPAC(4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CN(C)C(=O)N2C)cccc1C(F)(F)F
InChIInChI=1S/C15H18F3N3O2/c1-9-10(5-4-6-11(9)15(16,17)18)7-19-13(22)12-8-20(2)14(23)21(12)3/h4-6,12H,7-8H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyOUPCILXHXIGWSG-LBPRGKRZSA-N
MW329.32 g/mol
LogP2.00
Rot. Bonds3

About (4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 71450796) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is (4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID71450796
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name(4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CN(C)C(=O)N2C)cccc1C(F)(F)F
InChIInChI=1S/C15H18F3N3O2/c1-9-10(5-4-6-11(9)15(16,17)18)7-19-13(22)12-8-20(2)14(23)21(12)3/h4-6,12H,7-8H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyOUPCILXHXIGWSG-LBPRGKRZSA-N
XLogP2.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
CID 4264496
(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one
CID 23646442
(3R,4S)-N3-(3,5-bis(trifluoromethyl)benzyl)-N1-cyclohexyl-N3-methyl-4-phenylpyrrolidine-1,3-dicarboxamide
CID 44433787
N-cyclopentyl-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4204383
N-cyclopentyl-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4205522
N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095
Casopitant metabolite M31
CID 12001282
(R)-1-(4''-Fluoro-biphenyl-4-ylmethyl)-2-oxo-imidazolidine-4-carboxylic acid hydroxyamide
CID 12971985
[2-[3,5-bis(trifluoromethyl)phenyl]pyrrolidin-1-yl]-[(2S)-2-(4-fluoro-2-methylphenyl)piperazin-1-yl]methanone
CID 20599010
(2S)-1-ethyl-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 49864951
(2S)-1-ethyl-5-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 49864952

Frequently Asked Questions

What is the IUPAC name of (4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 71450796) is (4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is Cc1c(CNC(=O)[C@@H]2CN(C)C(=O)N2C)cccc1C(F)(F)F.
What is the InChIKey of (4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is OUPCILXHXIGWSG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-9-10(5-4-6-11(9)15(16,17)18)7-19-13(22)12-8-20(2)14(23)21(12)3/h4-6,12H,7-8H2,1-3H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 329.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71450796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).