4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one

C14H16F3N3O — CID 140604945

IUPAC4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCCC/N=C1\NC(=O)NC1c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-2-3-8-18-12-11(19-13(21)20-12)9-6-4-5-7-10(9)14(15,16)17/h4-7,11H,2-3,8H2,1H3,(H2,18,19,20,21)
InChIKeyBRGYACHVSVVILA-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.26
Rot. Bonds4

About 4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one

4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 140604945) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID140604945
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCCC/N=C1\NC(=O)NC1c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-2-3-8-18-12-11(19-13(21)20-12)9-6-4-5-7-10(9)14(15,16)17/h4-7,11H,2-3,8H2,1H3,(H2,18,19,20,21)
InChIKeyBRGYACHVSVVILA-UHFFFAOYSA-N
XLogP3.26
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-phenyl-4-(trifluoromethyl)imidazolidin-2-one
CID 101954988
5-[[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 136237150
1-[1-[(4-Fluoro-2-methylphenyl)methyl]azetidin-3-yl]imidazolidin-2-one
CID 137987156
1-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-methyl-3-octylurea
CID 15294912
N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 19889652
methyl N-[5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 22756603
4-(3,4-Difluorophenyl)-2-imidazolidinone
CID 22993504
5-(3,4-Difluorophenyl)-1-methylimidazolidin-2-one
CID 22993597
1-Propan-2-yl-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 23548361
1-[2-[[2-(Trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
CID 62880616
5-[2-(Aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one
CID 66910871
5-(2,4-Difluorophenyl)-1-methylimidazolidin-2-one
CID 116855916

Frequently Asked Questions

What is the IUPAC name of 4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 140604945) is 4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one is CCCC/N=C1\NC(=O)NC1c1ccccc1C(F)(F)F.
What is the InChIKey of 4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is BRGYACHVSVVILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-2-3-8-18-12-11(19-13(21)20-12)9-6-4-5-7-10(9)14(15,16)17/h4-7,11H,2-3,8H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 299.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 140604945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).