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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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).