1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one

C13H16FN3O — CID 80579438

IUPAC1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2cc(F)ccc2CN)c1=O
InChIInChI=1S/C13H16FN3O/c1-2-16-5-6-17(13(16)18)9-11-7-12(14)4-3-10(11)8-15/h3-7H,2,8-9,15H2,1H3
InChIKeyBHJZODPPVJFRMT-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.32
Rot. Bonds4

About 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one

1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one (PubChem CID 80579438) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one
PubChem CID80579438
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2cc(F)ccc2CN)c1=O
InChIInChI=1S/C13H16FN3O/c1-2-16-5-6-17(13(16)18)9-11-7-12(14)4-3-10(11)8-15/h3-7H,2,8-9,15H2,1H3
InChIKeyBHJZODPPVJFRMT-UHFFFAOYSA-N
XLogP1.32
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one
CID 105375362
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579365
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579713
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]pyridin-4-one
CID 64763549
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 64764832
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6-methylpyrimidin-4-one
CID 64764830
1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one
CID 80579479
[4-fluoro-2-[(5-methylindol-1-yl)methyl]phenyl]methanamine
CID 64764833
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
CID 80579569
4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione
CID 64765198

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one (CID 80579438) is 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one is CCn1ccn(Cc2cc(F)ccc2CN)c1=O.
What is the InChIKey of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one?
The InChIKey is BHJZODPPVJFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-16-5-6-17(13(16)18)9-11-7-12(14)4-3-10(11)8-15/h3-7H,2,8-9,15H2,1H3.
What are the key properties of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one?
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one has a molecular weight of 249.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 80579438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).