(5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

C18H15FN4O3 — CID 52512072

IUPAC(5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccco2)NC(=O)N(Cc2ccn(-c3cccc(F)c3)n2)C1=O
InChIInChI=1S/C18H15FN4O3/c1-18(15-6-3-9-26-15)16(24)22(17(25)20-18)11-13-7-8-23(21-13)14-5-2-4-12(19)10-14/h2-10H,11H2,1H3,(H,20,25)/t18-/m0/s1
InChIKeyCVRORLBZKIZGFQ-SFHVURJKSA-N
MW354.34 g/mol
LogP2.57
Rot. Bonds4

About (5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

(5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 52512072) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is (5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID52512072
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name(5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccco2)NC(=O)N(Cc2ccn(-c3cccc(F)c3)n2)C1=O
InChIInChI=1S/C18H15FN4O3/c1-18(15-6-3-9-26-15)16(24)22(17(25)20-18)11-13-7-8-23(21-13)14-5-2-4-12(19)10-14/h2-10H,11H2,1H3,(H,20,25)/t18-/m0/s1
InChIKeyCVRORLBZKIZGFQ-SFHVURJKSA-N
XLogP2.57
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
N-(3-fluorophenyl)-2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27109548
3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 103054477
5-(furan-2-yl)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 47013283
5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 46642091
(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385595
(5S)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385593
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47037834
(5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 124576191
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 17395489
5-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 51951241
7-[[1-(3-fluorophenyl)triazol-4-yl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166604514

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (CID 52512072) is (5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccco2)NC(=O)N(Cc2ccn(-c3cccc(F)c3)n2)C1=O.
What is the InChIKey of (5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is CVRORLBZKIZGFQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-18(15-6-3-9-26-15)16(24)22(17(25)20-18)11-13-7-8-23(21-13)14-5-2-4-12(19)10-14/h2-10H,11H2,1H3,(H,20,25)/t18-/m0/s1.
What are the key properties of (5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 354.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 52512072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).