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

C15H18F3N3O2 — CID 145485157

IUPAC1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CN(C)C(=O)N2C)cc1C(F)(F)F
InChIInChI=1S/C15H18F3N3O2/c1-9-4-5-10(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)
InChIKeyBCKVPMZUXWCHIC-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.00
Rot. Bonds3

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

1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 145485157) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID145485157
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CN(C)C(=O)N2C)cc1C(F)(F)F
InChIInChI=1S/C15H18F3N3O2/c1-9-4-5-10(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)
InChIKeyBCKVPMZUXWCHIC-UHFFFAOYSA-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-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71463306
(4S)-N-[(2,4-dichloro-6-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71457940
N-[[2-(aminomethyl)-4-chlorophenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 151232699
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 68781816
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25094618
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109483
(4R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 68600659
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
(2S,4S)-4-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 77083546
2-methyl-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]phthalazin-1-one
CID 157130488
N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
CID 25094350

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 145485157) is 1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is Cc1ccc(CNC(=O)C2CN(C)C(=O)N2C)cc1C(F)(F)F.
What is the InChIKey of 1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is BCKVPMZUXWCHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-9-4-5-10(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).
What are the key properties of 1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
1,3-dimethyl-N-[[4-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 1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 145485157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).