(5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione

C17H17F2N3O3 — CID 156823112

IUPAC(5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CCC(=O)N2Cc3cc(F)c(F)cc3C2)(C2CC2)N1
InChIInChI=1S/C17H17F2N3O3/c18-12-5-9-7-22(8-10(9)6-13(12)19)14(23)3-4-17(11-1-2-11)15(24)20-16(25)21-17/h5-6,11H,1-4,7-8H2,(H2,20,21,24,25)/t17-/m0/s1
InChIKeyZMONONWLGUTMJN-KRWDZBQOSA-N
MW349.34 g/mol
LogP1.58
Rot. Bonds4

About (5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156823112) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID156823112
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name(5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CCC(=O)N2Cc3cc(F)c(F)cc3C2)(C2CC2)N1
InChIInChI=1S/C17H17F2N3O3/c18-12-5-9-7-22(8-10(9)6-13(12)19)14(23)3-4-17(11-1-2-11)15(24)20-16(25)21-17/h5-6,11H,1-4,7-8H2,(H2,20,21,24,25)/t17-/m0/s1
InChIKeyZMONONWLGUTMJN-KRWDZBQOSA-N
XLogP1.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1,3-Dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2464446
2-[2-[4-Methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
CID 2999643
N-cyclopropyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16298716
5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46881430
5-Cyclopropyl-5-(3-(4-(3-fluorophenyl) piperidin-1-yl)-3-oxopropyl) imidazolidine-2,4-dione
CID 132211332
(S)-5-cyclopropyl-5-(3-((3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidin-1-yl)-3-oxopropyl) imidazolidine-2,4-dione
CID 132211964
5-cyclopropyl-5-(3-((3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidin-1-yl)-3-oxopropyl) imidazolidine-2,4-dione
CID 132220241
5-(4-Fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
CID 46881487
(S)-5-cyclopropyl-5-(3-((3R,4S)-4-(3,4-difluorophenyl)-3-methylpiperidin-1-yl)-3-oxopropyl) imidazolidine-2,4-dione
CID 132211393
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4779536
US20240299360, Example 30-1
CID 156822866
US20240299360, Example 1
CID 156822884

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 156823112) is (5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CCC(=O)N2Cc3cc(F)c(F)cc3C2)(C2CC2)N1.
What is the InChIKey of (5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is ZMONONWLGUTMJN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c18-12-5-9-7-22(8-10(9)6-13(12)19)14(23)3-4-17(11-1-2-11)15(24)20-16(25)21-17/h5-6,11H,1-4,7-8H2,(H2,20,21,24,25)/t17-/m0/s1.
What are the key properties of (5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 349.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-5-[3-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).