1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one

C17H22F3N3O — CID 140604954

IUPAC1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC(C)CC(C)/N=C1\NC(=O)N(C)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3N3O/c1-10(2)9-11(3)21-15-14(23(4)16(24)22-15)12-7-5-6-8-13(12)17(18,19)20/h5-8,10-11,14H,9H2,1-4H3,(H,21,22,24)
InChIKeyKDRBCQKTURINFQ-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.23
Rot. Bonds4

About 1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one

1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 140604954) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID140604954
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC Name1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC(C)CC(C)/N=C1\NC(=O)N(C)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3N3O/c1-10(2)9-11(3)21-15-14(23(4)16(24)22-15)12-7-5-6-8-13(12)17(18,19)20/h5-8,10-11,14H,9H2,1-4H3,(H,21,22,24)
InChIKeyKDRBCQKTURINFQ-UHFFFAOYSA-N
XLogP4.23
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 136237150
1-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-methyl-3-octylurea
CID 15294912
1-[2-[[2-(Trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
CID 62880616
5-[2-(Aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one
CID 66910871
1-Cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68906858
3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
CID 123762350
N'-[3-[5-(2,3-difluorophenyl)-2-oxo-4-(1-phenylethylimino)imidazolidin-1-yl]propyl]methanimidamide
CID 136600124
5-(3,4-Difluorophenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388361
N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide
CID 139313233
4-Butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 140604945
5-Imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 145475187
1-(2,2-Difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one
CID 145475198

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 140604954) is 1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one is CC(C)CC(C)/N=C1\NC(=O)N(C)C1c1ccccc1C(F)(F)F.
What is the InChIKey of 1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is KDRBCQKTURINFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O/c1-10(2)9-11(3)21-15-14(23(4)16(24)22-15)12-7-5-6-8-13(12)17(18,19)20/h5-8,10-11,14H,9H2,1-4H3,(H,21,22,24).
What are the key properties of 1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 341.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 140604954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).