1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one

C12H15BrFN3O — CID 116981207

IUPAC1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CCN)CC1c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFN3O/c1-16-11(7-17(5-4-15)12(16)18)9-6-8(13)2-3-10(9)14/h2-3,6,11H,4-5,7,15H2,1H3
InChIKeyMJGIHABMEUKSEY-UHFFFAOYSA-N
MW316.17 g/mol
LogP1.96
Rot. Bonds3

About 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one

1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one (PubChem CID 116981207) has the molecular formula C12H15BrFN3O and a molecular weight of 316.17 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one
PubChem CID116981207
Molecular FormulaC12H15BrFN3O
Molecular Weight316.17 g/mol
Exact Mass315.04
IUPAC Name1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CCN)CC1c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFN3O/c1-16-11(7-17(5-4-15)12(16)18)9-6-8(13)2-3-10(9)14/h2-3,6,11H,4-5,7,15H2,1H3
InChIKeyMJGIHABMEUKSEY-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-2-fluorophenyl)-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116981245
1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981441
1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one
CID 116981193
1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one
CID 116981451
2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine
CID 116962876
4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982256
1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981404
1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one
CID 116981434
1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 116981435
[(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanamine
CID 94556792
1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
CID 83530385
2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine
CID 84645730

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one (CID 116981207) is 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one is CN1C(=O)N(CCN)CC1c1cc(Br)ccc1F.
What is the InChIKey of 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one?
The InChIKey is MJGIHABMEUKSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3O/c1-16-11(7-17(5-4-15)12(16)18)9-6-8(13)2-3-10(9)14/h2-3,6,11H,4-5,7,15H2,1H3.
What are the key properties of 1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one?
1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one has a molecular weight of 316.17 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 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)-3-methylimidazolidin-2-one is sourced from PubChem (CID 116981207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).