5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione

C23H18N4O3 — CID 51293723

IUPAC5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O
InChIInChI=1S/C23H18N4O3/c1-23(18-10-6-8-15-7-2-3-9-17(15)18)21(29)27(22(30)25-23)14-16-13-20(28)26-12-5-4-11-19(26)24-16/h2-13H,14H2,1H3,(H,25,30)
InChIKeyORDMMANYKMBTCX-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.81
Rot. Bonds3

About 5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione

5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 51293723) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID51293723
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O
InChIInChI=1S/C23H18N4O3/c1-23(18-10-6-8-15-7-2-3-9-17(15)18)21(29)27(22(30)25-23)14-16-13-20(28)26-12-5-4-11-19(26)24-16/h2-13H,14H2,1H3,(H,25,30)
InChIKeyORDMMANYKMBTCX-UHFFFAOYSA-N
XLogP2.81
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.81
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

(5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 92856223
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180024
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 46582960
5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112787610
5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 78766969
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 47004334
5-methyl-5-naphthalen-1-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674242
(5S)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40789411
(5R)-5-methyl-5-naphthalen-1-yl-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9403666
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40811680

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (CID 51293723) is 5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is CC1(c2cccc3ccccc23)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O.
What is the InChIKey of 5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is ORDMMANYKMBTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-23(18-10-6-8-15-7-2-3-9-17(15)18)21(29)27(22(30)25-23)14-16-13-20(28)26-12-5-4-11-19(26)24-16/h2-13H,14H2,1H3,(H,25,30).
What are the key properties of 5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 398.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51293723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).