5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one

C15H20FN3O — CID 136995908

IUPAC5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one
SMILESCCC1(c2ccccc2F)N/C(=N/CC(C)C)NC1=O
InChIInChI=1S/C15H20FN3O/c1-4-15(11-7-5-6-8-12(11)16)13(20)18-14(19-15)17-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyLSEQJXWWRPVYGO-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.16
Rot. Bonds4

About 5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one

5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one (PubChem CID 136995908) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one
PubChem CID136995908
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one
SMILESCCC1(c2ccccc2F)N/C(=N/CC(C)C)NC1=O
InChIInChI=1S/C15H20FN3O/c1-4-15(11-7-5-6-8-12(11)16)13(20)18-14(19-15)17-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyLSEQJXWWRPVYGO-UHFFFAOYSA-N
XLogP2.16
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
CID 136703807
5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one
CID 136912230
2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one
CID 136994576
5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one
CID 136925049
5-ethyl-5-(2-fluorophenyl)-1,4-dihydroimidazol-2-amine
CID 112680364
2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one
CID 136925050
3-ethyl-3-propan-2-yl-1H-indol-2-one
CID 45094674
5-(2,4-dichlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 82098439
5-(2-fluorophenyl)-5-methylpyrrolidin-2-one
CID 105446893
N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 112680012
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 94818608

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one (CID 136995908) is 5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one is CCC1(c2ccccc2F)N/C(=N/CC(C)C)NC1=O.
What is the InChIKey of 5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one?
The InChIKey is LSEQJXWWRPVYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-15(11-7-5-6-8-12(11)16)13(20)18-14(19-15)17-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one?
5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one has a molecular weight of 277.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one is sourced from PubChem (CID 136995908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).