(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

C19H18N2O5 — CID 7691995

IUPAC(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1
InChIInChI=1S/C19H18N2O5/c1-19(13-6-7-15-16(9-13)26-11-25-15)17(22)21(18(23)20-19)10-12-4-3-5-14(8-12)24-2/h3-9H,10-11H2,1-2H3,(H,20,23)/t19-/m1/s1
InChIKeyZAZLMWDARDNVAV-LJQANCHMSA-N
MW354.36 g/mol
LogP2.39
Rot. Bonds4

About (5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7691995) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID7691995
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1
InChIInChI=1S/C19H18N2O5/c1-19(13-6-7-15-16(9-13)26-11-25-15)17(22)21(18(23)20-19)10-12-4-3-5-14(8-12)24-2/h3-9H,10-11H2,1-2H3,(H,20,23)/t19-/m1/s1
InChIKeyZAZLMWDARDNVAV-LJQANCHMSA-N
XLogP2.39
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.39
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

(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
5-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17450276
5-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17400223
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75853918
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 25437321
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 17397810
4-[[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7692013
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 7264902
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]imidazolidine-2,4-dione
CID 16610811
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 126829801
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7692114

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 7691995) is (5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is COc1cccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1.
What is the InChIKey of (5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZAZLMWDARDNVAV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-19(13-6-7-15-16(9-13)26-11-25-15)17(22)21(18(23)20-19)10-12-4-3-5-14(8-12)24-2/h3-9H,10-11H2,1-2H3,(H,20,23)/t19-/m1/s1.
What are the key properties of (5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 354.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7691995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).