5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione

C28H24N2O4 — CID 2090016

IUPAC5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C28H24N2O4/c1-33-23-14-10-21(11-15-23)28(22-12-16-24(34-2)17-13-22)26(31)30(27(32)29-28)18-20-8-5-7-19-6-3-4-9-25(19)20/h3-17H,18H2,1-2H3,(H,29,32)
InChIKeyBRNHZZFSYNMULA-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.85
Rot. Bonds6

About 5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione

5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione (PubChem CID 2090016) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
PubChem CID2090016
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C28H24N2O4/c1-33-23-14-10-21(11-15-23)28(22-12-16-24(34-2)17-13-22)26(31)30(27(32)29-28)18-20-8-5-7-19-6-3-4-9-25(19)20/h3-17H,18H2,1-2H3,(H,29,32)
InChIKeyBRNHZZFSYNMULA-UHFFFAOYSA-N
XLogP4.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.85
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

3-(naphthalen-1-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
CID 7916945
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 40620869
4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2121699
3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 9403675
3-[(2-bromophenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 26018170
5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 4877059
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2562741
5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45352806
(5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 8001244
5,5-bis(4-methoxyphenyl)-3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 38827168
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 51448091

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione (CID 2090016) is 5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione is COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3cccc4ccccc34)C2=O)cc1.
What is the InChIKey of 5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is BRNHZZFSYNMULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4/c1-33-23-14-10-21(11-15-23)28(22-12-16-24(34-2)17-13-22)26(31)30(27(32)29-28)18-20-8-5-7-19-6-3-4-9-25(19)20/h3-17H,18H2,1-2H3,(H,29,32).
What are the key properties of 5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione?
5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 452.51 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2090016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).