N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide

C17H15ClF3N5O2 — CID 25097731

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2ncccn2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C17H15ClF3N5O2/c1-25-12(9-26(16(25)28)15-22-6-3-7-23-15)14(27)24-8-10-4-2-5-11(13(10)18)17(19,20)21/h2-7,12H,8-9H2,1H3,(H,24,27)
InChIKeyVEJSCJTUSBXATQ-UHFFFAOYSA-N
MW413.79 g/mol
LogP2.71
Rot. Bonds4

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide (PubChem CID 25097731) has the molecular formula C17H15ClF3N5O2 and a molecular weight of 413.79 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide
PubChem CID25097731
Molecular FormulaC17H15ClF3N5O2
Molecular Weight413.79 g/mol
Exact Mass413.09
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2ncccn2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C17H15ClF3N5O2/c1-25-12(9-26(16(25)28)15-22-6-3-7-23-15)14(27)24-8-10-4-2-5-11(13(10)18)17(19,20)21/h2-7,12H,8-9H2,1H3,(H,24,27)
InChIKeyVEJSCJTUSBXATQ-UHFFFAOYSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-3-pyrimidin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279481
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 117995615
1-[(3S)-1-(2-aminopyrimidin-4-yl)pyrrolidin-3-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 117996052
(R)-(4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)piperazin-1-yl)(pyrrolidin-2-yl)methanone
CID 44406338
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52943071
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52943107
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide
CID 52943116
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52946486
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxamide
CID 52947971
(2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]acetyl]anilino)acetamide
CID 145980478
CID 145993293
CID 145993293
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]urea
CID 155535068

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide (CID 25097731) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide is CN1C(=O)N(c2ncccn2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide?
The InChIKey is VEJSCJTUSBXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5O2/c1-25-12(9-26(16(25)28)15-22-6-3-7-23-15)14(27)24-8-10-4-2-5-11(13(10)18)17(19,20)21/h2-7,12H,8-9H2,1H3,(H,24,27).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide has a molecular weight of 413.79 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide is sourced from PubChem (CID 25097731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).