4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one

C12H16FN3O — CID 116978279

IUPAC4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
SMILESCNCCN1CC(c2cccc(F)c2)NC1=O
InChIInChI=1S/C12H16FN3O/c1-14-5-6-16-8-11(15-12(16)17)9-3-2-4-10(13)7-9/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,17)
InChIKeyRVLLRKIWPAXXAH-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.11
Rot. Bonds4

About 4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one

4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one (PubChem CID 116978279) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
PubChem CID116978279
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
SMILESCNCCN1CC(c2cccc(F)c2)NC1=O
InChIInChI=1S/C12H16FN3O/c1-14-5-6-16-8-11(15-12(16)17)9-3-2-4-10(13)7-9/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,17)
InChIKeyRVLLRKIWPAXXAH-UHFFFAOYSA-N
XLogP1.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
CID 116978623
1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one
CID 116978671
3-(3-fluorophenyl)-1-methylpyrazolidine
CID 163747853
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
4-(3-methoxyphenyl)-1-(2-oxopropyl)imidazolidin-2-one
CID 116980510
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
methyl (6R)-6-(3-fluorophenyl)-4-methyl-3-(3-methylbutyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 9449360
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83242288
1-ethyl-4-(3-fluorophenyl)piperidin-2-one
CID 139936201
3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one
CID 121209523

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one (CID 116978279) is 4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one is CNCCN1CC(c2cccc(F)c2)NC1=O.
What is the InChIKey of 4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The InChIKey is RVLLRKIWPAXXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-14-5-6-16-8-11(15-12(16)17)9-3-2-4-10(13)7-9/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,17).
What are the key properties of 4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one has a molecular weight of 237.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 116978279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).