1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one

C14H20FN3O — CID 116981558

IUPAC1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one
SMILESCC(CN)CN1CC(c2cccc(F)c2)N(C)C1=O
InChIInChI=1S/C14H20FN3O/c1-10(7-16)8-18-9-13(17(2)14(18)19)11-4-3-5-12(15)6-11/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyIJVBSAPXNOPJFE-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.83
Rot. Bonds4

About 1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one

1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one (PubChem CID 116981558) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one
PubChem CID116981558
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one
SMILESCC(CN)CN1CC(c2cccc(F)c2)N(C)C1=O
InChIInChI=1S/C14H20FN3O/c1-10(7-16)8-18-9-13(17(2)14(18)19)11-4-3-5-12(15)6-11/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyIJVBSAPXNOPJFE-UHFFFAOYSA-N
XLogP1.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one
CID 121209523
1-(2-aminopropyl)-3-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 116981348
2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
CID 116982437
4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982256
3-amino-4-(3-fluorophenyl)-1-methylazetidin-2-one
CID 102551147
3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982044
1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one
CID 116978671
1-ethyl-3-methyl-4-naphthalen-2-ylimidazolidin-2-one
CID 116983099
1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one
CID 116978704
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119329380
2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
CID 116982014
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one (CID 116981558) is 1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one is CC(CN)CN1CC(c2cccc(F)c2)N(C)C1=O.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one?
The InChIKey is IJVBSAPXNOPJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-10(7-16)8-18-9-13(17(2)14(18)19)11-4-3-5-12(15)6-11/h3-6,10,13H,7-9,16H2,1-2H3.
What are the key properties of 1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one?
1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one has a molecular weight of 265.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 116981558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).