1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one

C11H13BrFN3O — CID 116978214

IUPAC1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one
SMILESNCCN1CC(c2cc(Br)ccc2F)NC1=O
InChIInChI=1S/C11H13BrFN3O/c12-7-1-2-9(13)8(5-7)10-6-16(4-3-14)11(17)15-10/h1-2,5,10H,3-4,6,14H2,(H,15,17)
InChIKeyVXXVANYTQXTBBL-UHFFFAOYSA-N
MW302.15 g/mol
LogP1.61
Rot. Bonds3

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

1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one (PubChem CID 116978214) has the molecular formula C11H13BrFN3O and a molecular weight of 302.15 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one
PubChem CID116978214
Molecular FormulaC11H13BrFN3O
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one
SMILESNCCN1CC(c2cc(Br)ccc2F)NC1=O
InChIInChI=1S/C11H13BrFN3O/c12-7-1-2-9(13)8(5-7)10-6-16(4-3-14)11(17)15-10/h1-2,5,10H,3-4,6,14H2,(H,15,17)
InChIKeyVXXVANYTQXTBBL-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 51.61
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
4-Phenylimidazolidin-2-one
CID 322644
1-(2-Fluorobenzyl)imidazolidin-2-one
CID 3244179
1-[(4-Fluorophenyl)methyl]imidazolidin-2-one
CID 4168948
4-[(4-bromo-2-fluorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 44177476
1-Benzyl-1-(3-bromobenzyl)-3-isopropylurea
CID 53322727
1-Methyl-4-phenylimidazolidin-2-one
CID 44370699
2-Imidazolidinone, 5-phenyl-1-propyl-
CID 57458
[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-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one (CID 116978214) is 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one is NCCN1CC(c2cc(Br)ccc2F)NC1=O.
What is the InChIKey of 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
The InChIKey is VXXVANYTQXTBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3O/c12-7-1-2-9(13)8(5-7)10-6-16(4-3-14)11(17)15-10/h1-2,5,10H,3-4,6,14H2,(H,15,17).
What are the key properties of 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one has a molecular weight of 302.15 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 116978214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).