2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one

C13H16FN3O — CID 136994576

IUPAC2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one
SMILESCC/N=C1\NC(=O)C(C)(Cc2ccccc2F)N1
InChIInChI=1S/C13H16FN3O/c1-3-15-12-16-11(18)13(2,17-12)8-9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeySFLZBGLFCPSFDR-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.22
Rot. Bonds3

About 2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one

2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one (PubChem CID 136994576) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one
PubChem CID136994576
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one
SMILESCC/N=C1\NC(=O)C(C)(Cc2ccccc2F)N1
InChIInChI=1S/C13H16FN3O/c1-3-15-12-16-11(18)13(2,17-12)8-9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeySFLZBGLFCPSFDR-UHFFFAOYSA-N
XLogP1.22
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.22
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

5-[2-(2-fluorophenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 141409272
azane;1-ethyl-2-fluorobenzene
CID 66657049
2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one
CID 136995207
5-[(2-fluorophenyl)methyl]-5-methyl-1,4-dihydroimidazol-2-amine
CID 114835134
6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64902761
2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine
CID 115058741
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine
CID 139501257
1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
CID 80603906
1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875282
N-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazolidin-3-imine
CID 178189314
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049

Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one?
The IUPAC name of 2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one (CID 136994576) is 2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one?
The canonical SMILES for 2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one is CC/N=C1\NC(=O)C(C)(Cc2ccccc2F)N1.
What is the InChIKey of 2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one?
The InChIKey is SFLZBGLFCPSFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-15-12-16-11(18)13(2,17-12)8-9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one?
2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one has a molecular weight of 249.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 136994576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).