(5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione

C25H28N2O3 — CID 69458848

IUPAC(5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/NC(=O)NC2=O)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H28N2O3/c1-24(2)10-11-25(3,4)19-14-16(7-8-18(19)24)17-12-15(6-9-21(17)30-5)13-20-22(28)27-23(29)26-20/h6-9,12-14H,10-11H2,1-5H3,(H2,26,27,28,29)/b20-13+
InChIKeyXDIHVXJBBMIMAL-DEDYPNTBSA-N
MW404.51 g/mol
LogP4.89
Rot. Bonds3

About (5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione

(5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 69458848) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is (5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID69458848
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name(5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/NC(=O)NC2=O)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H28N2O3/c1-24(2)10-11-25(3,4)19-14-16(7-8-18(19)24)17-12-15(6-9-21(17)30-5)13-20-22(28)27-23(29)26-20/h6-9,12-14H,10-11H2,1-5H3,(H2,26,27,28,29)/b20-13+
InChIKeyXDIHVXJBBMIMAL-DEDYPNTBSA-N
XLogP4.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione (CID 69458848) is (5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione is COc1ccc(/C=C2/NC(=O)NC2=O)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of (5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is XDIHVXJBBMIMAL-DEDYPNTBSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-24(2)10-11-25(3,4)19-14-16(7-8-18(19)24)17-12-15(6-9-21(17)30-5)13-20-22(28)27-23(29)26-20/h6-9,12-14H,10-11H2,1-5H3,(H2,26,27,28,29)/b20-13+.
What are the key properties of (5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 404.51 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 69458848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).