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

C14H16FN3O — CID 136995207

IUPAC2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one
SMILESCC1(Cc2ccc(F)cc2)N/C(=N/C2CC2)NC1=O
InChIInChI=1S/C14H16FN3O/c1-14(8-9-2-4-10(15)5-3-9)12(19)17-13(18-14)16-11-6-7-11/h2-5,11H,6-8H2,1H3,(H2,16,17,18,19)
InChIKeyNXZDVZVSPBKSQY-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.36
Rot. Bonds3

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

2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one (PubChem CID 136995207) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one
PubChem CID136995207
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one
SMILESCC1(Cc2ccc(F)cc2)N/C(=N/C2CC2)NC1=O
InChIInChI=1S/C14H16FN3O/c1-14(8-9-2-4-10(15)5-3-9)12(19)17-13(18-14)16-11-6-7-11/h2-5,11H,6-8H2,1H3,(H2,16,17,18,19)
InChIKeyNXZDVZVSPBKSQY-UHFFFAOYSA-N
XLogP1.36
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.36
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-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one
CID 136925050
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CID 114834394
2-ethylimino-5-[(2-fluorophenyl)methyl]-5-methylimidazolidin-4-one
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CID 136734054
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(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306
5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one
CID 136954602
1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol
CID 79333953
(3R,5S)-3-[(4-fluorophenyl)methyl-methylamino]-5-methyloxolan-2-one
CID 95152129
6-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331044
1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene
CID 177366881
4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione
CID 114835105

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one?
The IUPAC name of 2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one (CID 136995207) is 2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one?
The canonical SMILES for 2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one is CC1(Cc2ccc(F)cc2)N/C(=N/C2CC2)NC1=O.
What is the InChIKey of 2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one?
The InChIKey is NXZDVZVSPBKSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-14(8-9-2-4-10(15)5-3-9)12(19)17-13(18-14)16-11-6-7-11/h2-5,11H,6-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one?
2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one has a molecular weight of 261.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 136995207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).