(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione

C17H18N2O4 — CID 125419949

IUPAC(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1C
InChIInChI=1S/C17H18N2O4/c1-11-9-12(6-7-13(11)22-3)10-19-15(20)17(2,18-16(19)21)14-5-4-8-23-14/h4-9H,10H2,1-3H3,(H,18,21)/t17-/m1/s1
InChIKeyNUTINNXPAAIMOK-QGZVFWFLSA-N
MW314.34 g/mol
LogP2.56
Rot. Bonds4

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

(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 125419949) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID125419949
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1C
InChIInChI=1S/C17H18N2O4/c1-11-9-12(6-7-13(11)22-3)10-19-15(20)17(2,18-16(19)21)14-5-4-8-23-14/h4-9H,10H2,1-3H3,(H,18,21)/t17-/m1/s1
InChIKeyNUTINNXPAAIMOK-QGZVFWFLSA-N
XLogP2.56
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94820088
(5S)-5-(furan-2-yl)-3-[2-(2-methoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 94498941
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17450041
5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 46642091
3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51116154
2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile
CID 30292753
(5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 92786731
tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51259018
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51259022
3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 24520074

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 125419949) is (5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1C.
What is the InChIKey of (5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NUTINNXPAAIMOK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-9-12(6-7-13(11)22-3)10-19-15(20)17(2,18-16(19)21)14-5-4-8-23-14/h4-9H,10H2,1-3H3,(H,18,21)/t17-/m1/s1.
What are the key properties of (5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 314.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 125419949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).