3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

C13H11ClN4O3 — CID 103054477

IUPAC3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccco2)NC(=O)N(Cc2cnc(Cl)cn2)C1=O
InChIInChI=1S/C13H11ClN4O3/c1-13(9-3-2-4-21-9)11(19)18(12(20)17-13)7-8-5-16-10(14)6-15-8/h2-6H,7H2,1H3,(H,17,20)
InChIKeyPMCAXZHNUMJMBS-UHFFFAOYSA-N
MW306.71 g/mol
LogP1.69
Rot. Bonds3

About 3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 103054477) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID103054477
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccco2)NC(=O)N(Cc2cnc(Cl)cn2)C1=O
InChIInChI=1S/C13H11ClN4O3/c1-13(9-3-2-4-21-9)11(19)18(12(20)17-13)7-8-5-16-10(14)6-15-8/h2-6H,7H2,1H3,(H,17,20)
InChIKeyPMCAXZHNUMJMBS-UHFFFAOYSA-N
XLogP1.69
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 51.69
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
5-(furan-2-yl)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 47013283
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47037834
5-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 51951241
5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 79761553
3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528178
3-[2-(4-chlorophenoxy)ethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51249961
5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 46642091
3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 17395489
(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767255
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47021034

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (CID 103054477) is 3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is CC1(c2ccco2)NC(=O)N(Cc2cnc(Cl)cn2)C1=O.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is PMCAXZHNUMJMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-13(9-3-2-4-21-9)11(19)18(12(20)17-13)7-8-5-16-10(14)6-15-8/h2-6H,7H2,1H3,(H,17,20).
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 306.71 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 103054477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).