5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one

C11H14FN3O — CID 66910871

IUPAC5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1c1cc(F)ccc1CN
InChIInChI=1S/C11H14FN3O/c1-15-10(6-14-11(15)16)9-4-8(12)3-2-7(9)5-13/h2-4,10H,5-6,13H2,1H3,(H,14,16)
InChIKeyFTESPRXWRUCWGL-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.98
Rot. Bonds2

About 5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one

5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one (PubChem CID 66910871) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one
PubChem CID66910871
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1c1cc(F)ccc1CN
InChIInChI=1S/C11H14FN3O/c1-15-10(6-14-11(15)16)9-4-8(12)3-2-7(9)5-13/h2-4,10H,5-6,13H2,1H3,(H,14,16)
InChIKeyFTESPRXWRUCWGL-UHFFFAOYSA-N
XLogP0.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one?
The IUPAC name of 5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one (CID 66910871) is 5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one?
The canonical SMILES for 5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one is CN1C(=O)NCC1c1cc(F)ccc1CN.
What is the InChIKey of 5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one?
The InChIKey is FTESPRXWRUCWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-15-10(6-14-11(15)16)9-4-8(12)3-2-7(9)5-13/h2-4,10H,5-6,13H2,1H3,(H,14,16).
What are the key properties of 5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one?
5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-5-fluorophenyl]-1-methylimidazolidin-2-one is sourced from PubChem (CID 66910871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).