5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione

C16H22N2O4 — CID 111476351

IUPAC5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1CCC(O)(CN2C(=O)NC(C)(c3ccco3)C2=O)CC1
InChIInChI=1S/C16H22N2O4/c1-11-5-7-16(21,8-6-11)10-18-13(19)15(2,17-14(18)20)12-4-3-9-22-12/h3-4,9,11,21H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyCHSSIVUVJQZYIK-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.99
Rot. Bonds3

About 5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione

5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 111476351) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID111476351
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1CCC(O)(CN2C(=O)NC(C)(c3ccco3)C2=O)CC1
InChIInChI=1S/C16H22N2O4/c1-11-5-7-16(21,8-6-11)10-18-13(19)15(2,17-14(18)20)12-4-3-9-22-12/h3-4,9,11,21H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyCHSSIVUVJQZYIK-UHFFFAOYSA-N
XLogP1.99
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 51249918
5-(furan-2-yl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556335
3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 167933660
3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
N-cyclopropyl-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 87019144
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
(5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51317464
tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51259018
(5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 99717500
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47021034
methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate
CID 77074921

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione (CID 111476351) is 5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione is CC1CCC(O)(CN2C(=O)NC(C)(c3ccco3)C2=O)CC1.
What is the InChIKey of 5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is CHSSIVUVJQZYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-5-7-16(21,8-6-11)10-18-13(19)15(2,17-14(18)20)12-4-3-9-22-12/h3-4,9,11,21H,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of 5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione?
5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 306.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 111476351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).