1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one

C13H16FN3O2 — CID 8909124

IUPAC1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CC(=O)N1CCNC1=O)Cc1cccc(F)c1
InChIInChI=1S/C13H16FN3O2/c1-16(8-10-3-2-4-11(14)7-10)9-12(18)17-6-5-15-13(17)19/h2-4,7H,5-6,8-9H2,1H3,(H,15,19)
InChIKeyBOWYHVYVVIDUPX-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.81
Rot. Bonds4

About 1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one

1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one (PubChem CID 8909124) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one
PubChem CID8909124
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CC(=O)N1CCNC1=O)Cc1cccc(F)c1
InChIInChI=1S/C13H16FN3O2/c1-16(8-10-3-2-4-11(14)7-10)9-12(18)17-6-5-15-13(17)19/h2-4,7H,5-6,8-9H2,1H3,(H,15,19)
InChIKeyBOWYHVYVVIDUPX-UHFFFAOYSA-N
XLogP0.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 9261496
1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one
CID 47056965
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one
CID 56809947
1-[2-[methyl-[(2-phenylphenyl)methyl]amino]acetyl]imidazolidin-2-one
CID 51107186
2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 86908473
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 39748232
1-[2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetyl]imidazolidin-2-one
CID 56815809
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 8908808
2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26514033
N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 28802293
2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737496

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one (CID 8909124) is 1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one is CN(CC(=O)N1CCNC1=O)Cc1cccc(F)c1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one?
The InChIKey is BOWYHVYVVIDUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-16(8-10-3-2-4-11(14)7-10)9-12(18)17-6-5-15-13(17)19/h2-4,7H,5-6,8-9H2,1H3,(H,15,19).
What are the key properties of 1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one?
1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one has a molecular weight of 265.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 8909124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).