1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one

C9H11FN2O — CID 145275654

IUPAC1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one
SMILESO=C1NCCN1C1(F)C=CC=CC1
InChIInChI=1S/C9H11FN2O/c10-9(4-2-1-3-5-9)12-7-6-11-8(12)13/h1-4H,5-7H2,(H,11,13)
InChIKeyNFFKAXGOMQEJGE-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.19
Rot. Bonds1

About 1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one

1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one (PubChem CID 145275654) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one
PubChem CID145275654
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one
SMILESO=C1NCCN1C1(F)C=CC=CC1
InChIInChI=1S/C9H11FN2O/c10-9(4-2-1-3-5-9)12-7-6-11-8(12)13/h1-4H,5-7H2,(H,11,13)
InChIKeyNFFKAXGOMQEJGE-UHFFFAOYSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]imidazolidin-2-one
CID 154991826
(4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one
CID 171778848
(4S)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one
CID 171778866
1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one
CID 126777958
5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 154742982
1,3,3a,7a-Tetrahydrobenzimidazol-2-one
CID 23292288
3-methyl-3a,7a-dihydro-1H-benzimidazol-2-one
CID 53406300
2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
CID 58724333
2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
CID 58724369
1-Cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one
CID 89276858
1-Cyclohexa-1,5-dien-1-ylimidazolidin-2-one
CID 134424207
1-Pent-3-enylimidazolidin-2-one
CID 141130795

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one?
The IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one (CID 145275654) is 1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one?
The canonical SMILES for 1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one is O=C1NCCN1C1(F)C=CC=CC1.
What is the InChIKey of 1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one?
The InChIKey is NFFKAXGOMQEJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-9(4-2-1-3-5-9)12-7-6-11-8(12)13/h1-4H,5-7H2,(H,11,13).
What are the key properties of 1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one?
1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one has a molecular weight of 182.20 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one is sourced from PubChem (CID 145275654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).