5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione

C19H16F2N2O2 — CID 138037874

IUPAC5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1[C@@H]1C[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C19H16F2N2O2/c20-12-6-7-13(15(21)9-12)14-10-17(14)23-18(24)16(22-19(23)25)8-11-4-2-1-3-5-11/h1-7,9,14,16-17H,8,10H2,(H,22,25)/t14-,16?,17+/m0/s1
InChIKeyKIICAOHKSFAAHF-DRXWIORDSA-N
MW342.35 g/mol
LogP2.98
Rot. Bonds4

About 5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione

5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione (PubChem CID 138037874) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione
PubChem CID138037874
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1[C@@H]1C[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C19H16F2N2O2/c20-12-6-7-13(15(21)9-12)14-10-17(14)23-18(24)16(22-19(23)25)8-11-4-2-1-3-5-11/h1-7,9,14,16-17H,8,10H2,(H,22,25)/t14-,16?,17+/m0/s1
InChIKeyKIICAOHKSFAAHF-DRXWIORDSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione (CID 138037874) is 5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)C(=O)N1[C@@H]1C[C@H]1c1ccc(F)cc1F.
What is the InChIKey of 5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione?
The InChIKey is KIICAOHKSFAAHF-DRXWIORDSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c20-12-6-7-13(15(21)9-12)14-10-17(14)23-18(24)16(22-19(23)25)8-11-4-2-1-3-5-11/h1-7,9,14,16-17H,8,10H2,(H,22,25)/t14-,16?,17+/m0/s1.
What are the key properties of 5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione?
5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione has a molecular weight of 342.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 138037874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).