4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one

C13H17BrFN3O — CID 116981245

IUPAC4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
SMILESCNCCN1CC(c2cc(Br)ccc2F)N(C)C1=O
InChIInChI=1S/C13H17BrFN3O/c1-16-5-6-18-8-12(17(2)13(18)19)10-7-9(14)3-4-11(10)15/h3-4,7,12,16H,5-6,8H2,1-2H3
InChIKeyPAQXJDIEOLNDJI-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.22
Rot. Bonds4

About 4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one

4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one (PubChem CID 116981245) has the molecular formula C13H17BrFN3O and a molecular weight of 330.20 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
PubChem CID116981245
Molecular FormulaC13H17BrFN3O
Molecular Weight330.20 g/mol
Exact Mass329.05
IUPAC Name4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
SMILESCNCCN1CC(c2cc(Br)ccc2F)N(C)C1=O
InChIInChI=1S/C13H17BrFN3O/c1-16-5-6-18-8-12(17(2)13(18)19)10-7-9(14)3-4-11(10)15/h3-4,7,12,16H,5-6,8H2,1-2H3
InChIKeyPAQXJDIEOLNDJI-UHFFFAOYSA-N
XLogP2.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one
CID 116981207
4-(2,5-dimethylphenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116981231
3-methyl-1-[2-(methylamino)ethyl]-4-(4-methylphenyl)imidazolidin-2-one
CID 116981228
4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982256
1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981441
4-ethyl-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116981220
3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116981486
4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982246
1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one
CID 116981193
2-(6-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84644650
1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one
CID 116981451
1-(2-hydroxyethyl)-3-methyl-4-(2,3,4-trimethylphenyl)imidazolidin-2-one
CID 116981962

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one (CID 116981245) is 4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one is CNCCN1CC(c2cc(Br)ccc2F)N(C)C1=O.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The InChIKey is PAQXJDIEOLNDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN3O/c1-16-5-6-18-8-12(17(2)13(18)19)10-7-9(14)3-4-11(10)15/h3-4,7,12,16H,5-6,8H2,1-2H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one?
4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one has a molecular weight of 330.20 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 116981245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).