1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione

C19H16N4O4 — CID 127254318

IUPAC1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(c2[nH]c(=O)[nH]c2-c2ccc3ccccc3c2)C(=O)N(C)C1=O
InChIInChI=1S/C19H16N4O4/c1-22-16(24)13(17(25)23(2)19(22)27)15-14(20-18(26)21-15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3,(H2,20,21,26)
InChIKeyWIWXARQMSUYHAF-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.66
Rot. Bonds2

About 1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 127254318) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione
PubChem CID127254318
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(c2[nH]c(=O)[nH]c2-c2ccc3ccccc3c2)C(=O)N(C)C1=O
InChIInChI=1S/C19H16N4O4/c1-22-16(24)13(17(25)23(2)19(22)27)15-14(20-18(26)21-15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3,(H2,20,21,26)
InChIKeyWIWXARQMSUYHAF-UHFFFAOYSA-N
XLogP1.66
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione (CID 127254318) is 1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione is CN1C(=O)C(c2[nH]c(=O)[nH]c2-c2ccc3ccccc3c2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is WIWXARQMSUYHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-22-16(24)13(17(25)23(2)19(22)27)15-14(20-18(26)21-15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3,(H2,20,21,26).
What are the key properties of 1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 364.36 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 127254318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).