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

C25H30N2O4 — CID 23559976

IUPAC5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCc1cc2c(cc1-c1cc(CC3NC(=O)NC3=O)c(O)cc1O)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30N2O4/c1-13-8-17-18(25(4,5)7-6-24(17,2)3)11-15(13)16-9-14(20(28)12-21(16)29)10-19-22(30)27-23(31)26-19/h8-9,11-12,19,28-29H,6-7,10H2,1-5H3,(H2,26,27,30,31)
InChIKeyFFLOGAGFSRBDMC-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.17
Rot. Bonds3

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

5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 23559976) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID23559976
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCc1cc2c(cc1-c1cc(CC3NC(=O)NC3=O)c(O)cc1O)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30N2O4/c1-13-8-17-18(25(4,5)7-6-24(17,2)3)11-15(13)16-9-14(20(28)12-21(16)29)10-19-22(30)27-23(31)26-19/h8-9,11-12,19,28-29H,6-7,10H2,1-5H3,(H2,26,27,30,31)
InChIKeyFFLOGAGFSRBDMC-UHFFFAOYSA-N
XLogP4.17
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione (CID 23559976) is 5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione is Cc1cc2c(cc1-c1cc(CC3NC(=O)NC3=O)c(O)cc1O)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is FFLOGAGFSRBDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-13-8-17-18(25(4,5)7-6-24(17,2)3)11-15(13)16-9-14(20(28)12-21(16)29)10-19-22(30)27-23(31)26-19/h8-9,11-12,19,28-29H,6-7,10H2,1-5H3,(H2,26,27,30,31).
What are the key properties of 5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione?
5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 422.53 g/mol, XLogP of 4.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 23559976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).