2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C14H15FN2O3 — CID 42946430

IUPAC2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CC(O)c1ccccc1F
InChIInChI=1S/C14H15FN2O3/c15-10-5-2-1-4-9(10)12(18)8-17-13(19)11-6-3-7-16(11)14(17)20/h1-2,4-5,11-12,18H,3,6-8H2
InChIKeyRVOKTWLPSCGOFV-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.29
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 42946430) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID42946430
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CC(O)c1ccccc1F
InChIInChI=1S/C14H15FN2O3/c15-10-5-2-1-4-9(10)12(18)8-17-13(19)11-6-3-7-16(11)14(17)20/h1-2,4-5,11-12,18H,3,6-8H2
InChIKeyRVOKTWLPSCGOFV-UHFFFAOYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(7aS)-2-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 94385721
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 56815008
(7aS)-2-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 94189877
1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione
CID 113463158
(7aS)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 95151463
1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol
CID 110899499
(7aS)-2-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 125140214
(7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 125140213
(8aS)-2-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 52541592
(8aR)-2-[(2S)-2-hydroxy-3-phenoxypropyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 94796145
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 42955349
2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 42946404

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 42946430) is 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1C2CCCN2C(=O)N1CC(O)c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is RVOKTWLPSCGOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-10-5-2-1-4-9(10)12(18)8-17-13(19)11-6-3-7-16(11)14(17)20/h1-2,4-5,11-12,18H,3,6-8H2.
What are the key properties of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 278.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 42946430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).