1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one

C14H20FN3O — CID 116978704

IUPAC1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one
SMILESCc1cc(C2CN(CC(C)CN)C(=O)N2)ccc1F
InChIInChI=1S/C14H20FN3O/c1-9(6-16)7-18-8-13(17-14(18)19)11-3-4-12(15)10(2)5-11/h3-5,9,13H,6-8,16H2,1-2H3,(H,17,19)
InChIKeyFWQJZYNDSRGUTJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.80
Rot. Bonds4

About 1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one

1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one (PubChem CID 116978704) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one
PubChem CID116978704
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one
SMILESCc1cc(C2CN(CC(C)CN)C(=O)N2)ccc1F
InChIInChI=1S/C14H20FN3O/c1-9(6-16)7-18-8-13(17-14(18)19)11-3-4-12(15)10(2)5-11/h3-5,9,13H,6-8,16H2,1-2H3,(H,17,19)
InChIKeyFWQJZYNDSRGUTJ-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one (CID 116978704) is 1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one is Cc1cc(C2CN(CC(C)CN)C(=O)N2)ccc1F.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one?
The InChIKey is FWQJZYNDSRGUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9(6-16)7-18-8-13(17-14(18)19)11-3-4-12(15)10(2)5-11/h3-5,9,13H,6-8,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one?
1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one has a molecular weight of 265.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 116978704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).