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

C26H30N2O3 — CID 69462356

IUPAC5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(C=C2NC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H30N2O3/c1-15-11-19-20(26(4,5)10-9-25(19,2)3)14-17(15)18-12-16(7-8-22(18)31-6)13-21-23(29)28-24(30)27-21/h7-8,11-14H,9-10H2,1-6H3,(H2,27,28,29,30)
InChIKeyDVIRZBOYVSBOCA-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.20
Rot. Bonds3

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

5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 69462356) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID69462356
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(C=C2NC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H30N2O3/c1-15-11-19-20(26(4,5)10-9-25(19,2)3)14-17(15)18-12-16(7-8-22(18)31-6)13-21-23(29)28-24(30)27-21/h7-8,11-14H,9-10H2,1-6H3,(H2,27,28,29,30)
InChIKeyDVIRZBOYVSBOCA-UHFFFAOYSA-N
XLogP5.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.20
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 5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione (CID 69462356) is 5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione is COc1ccc(C=C2NC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is DVIRZBOYVSBOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-15-11-19-20(26(4,5)10-9-25(19,2)3)14-17(15)18-12-16(7-8-22(18)31-6)13-21-23(29)28-24(30)27-21/h7-8,11-14H,9-10H2,1-6H3,(H2,27,28,29,30).
What are the key properties of 5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 418.54 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 69462356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).