1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one

C12H15BrFN3O — CID 116978344

IUPAC1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one
SMILESCC(CN)N1CC(c2cc(Br)ccc2F)NC1=O
InChIInChI=1S/C12H15BrFN3O/c1-7(5-15)17-6-11(16-12(17)18)9-4-8(13)2-3-10(9)14/h2-4,7,11H,5-6,15H2,1H3,(H,16,18)
InChIKeyOPBWMFHNWNACCE-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.00
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one

1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one (PubChem CID 116978344) has the molecular formula C12H15BrFN3O and a molecular weight of 316.17 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one
PubChem CID116978344
Molecular FormulaC12H15BrFN3O
Molecular Weight316.17 g/mol
Exact Mass315.04
IUPAC Name1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one
SMILESCC(CN)N1CC(c2cc(Br)ccc2F)NC1=O
InChIInChI=1S/C12H15BrFN3O/c1-7(5-15)17-6-11(16-12(17)18)9-4-8(13)2-3-10(9)14/h2-4,7,11H,5-6,15H2,1H3,(H,16,18)
InChIKeyOPBWMFHNWNACCE-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
1-(2-Fluorobenzyl)imidazolidin-2-one
CID 3244179
1-[(4-Fluorophenyl)methyl]imidazolidin-2-one
CID 4168948
1-Benzyl-1-(3-bromobenzyl)-3-isopropylurea
CID 53322727
1-Methyl-4-phenylimidazolidin-2-one
CID 44370699
2-Imidazolidinone, 1-(2-methylpropyl)-5-phenyl-
CID 57451
2-Imidazolidinone, 5-phenyl-1-propyl-
CID 57458
2-Imidazolinone, 1-(3-(dimethylamino)propyl)-5-phenyl-
CID 60534
[2-(3-fluorophenyl)pyrrolidinyl]-N-(methylethyl)carboxamide
CID 45924903
N-[(5-bromo-2-fluorophenyl)methyl]-2-(carbamoylamino)propanamide
CID 47208514
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47326397

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one (CID 116978344) is 1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one is CC(CN)N1CC(c2cc(Br)ccc2F)NC1=O.
What is the InChIKey of 1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
The InChIKey is OPBWMFHNWNACCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3O/c1-7(5-15)17-6-11(16-12(17)18)9-4-8(13)2-3-10(9)14/h2-4,7,11H,5-6,15H2,1H3,(H,16,18).
What are the key properties of 1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one has a molecular weight of 316.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 116978344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).