(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione

C24H24N2O4 — CID 8943293

IUPAC(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(Cc4cc(C)ccc4OC)C3=O)ccc2c1
InChIInChI=1S/C24H24N2O4/c1-15-5-10-21(30-4)18(11-15)14-26-22(27)24(2,25-23(26)28)19-8-6-17-13-20(29-3)9-7-16(17)12-19/h5-13H,14H2,1-4H3,(H,25,28)/t24-/m0/s1
InChIKeyHXMBGRLYPHJMFP-DEOSSOPVSA-N
MW404.47 g/mol
LogP4.13
Rot. Bonds5

About (5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 8943293) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID8943293
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(Cc4cc(C)ccc4OC)C3=O)ccc2c1
InChIInChI=1S/C24H24N2O4/c1-15-5-10-21(30-4)18(11-15)14-26-22(27)24(2,25-23(26)28)19-8-6-17-13-20(29-3)9-7-16(17)12-19/h5-13H,14H2,1-4H3,(H,25,28)/t24-/m0/s1
InChIKeyHXMBGRLYPHJMFP-DEOSSOPVSA-N
XLogP4.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione (CID 8943293) is (5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione is COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cc(C)ccc4OC)C3=O)ccc2c1.
What is the InChIKey of (5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is HXMBGRLYPHJMFP-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15-5-10-21(30-4)18(11-15)14-26-22(27)24(2,25-23(26)28)19-8-6-17-13-20(29-3)9-7-16(17)12-19/h5-13H,14H2,1-4H3,(H,25,28)/t24-/m0/s1.
What are the key properties of (5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 404.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 8943293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).