1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one

C14H17F2N3O — CID 107522950

IUPAC1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(N)c2cc(F)ccc2F)c1=O
InChIInChI=1S/C14H17F2N3O/c1-2-5-18-6-7-19(14(18)20)9-13(17)11-8-10(15)3-4-12(11)16/h3-4,6-8,13H,2,5,9,17H2,1H3
InChIKeyAKFICFJCVKXEOV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.04
Rot. Bonds5

About 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one

1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one (PubChem CID 107522950) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
PubChem CID107522950
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(N)c2cc(F)ccc2F)c1=O
InChIInChI=1S/C14H17F2N3O/c1-2-5-18-6-7-19(14(18)20)9-13(17)11-8-10(15)3-4-12(11)16/h3-4,6-8,13H,2,5,9,17H2,1H3
InChIKeyAKFICFJCVKXEOV-UHFFFAOYSA-N
XLogP2.04
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581653
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522884
1-[2-amino-2-(4-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581654
3-[2-amino-2-(2,5-difluorophenyl)ethyl]-6-methylpyrimidin-4-one
CID 107522329
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624666
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
CID 80579569
1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 107522065
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 107523061
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one
CID 107522608
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one
CID 107523246

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one (CID 107522950) is 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one is CCCn1ccn(CC(N)c2cc(F)ccc2F)c1=O.
What is the InChIKey of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one?
The InChIKey is AKFICFJCVKXEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-2-5-18-6-7-19(14(18)20)9-13(17)11-8-10(15)3-4-12(11)16/h3-4,6-8,13H,2,5,9,17H2,1H3.
What are the key properties of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one?
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 107522950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).