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

C25H31N3O3 — CID 23560036

IUPAC5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCOc1ncc(CC2NC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H31N3O3/c1-14-9-18-19(25(4,5)8-7-24(18,2)3)12-16(14)17-10-15(13-26-22(17)31-6)11-20-21(29)28-23(30)27-20/h9-10,12-13,20H,7-8,11H2,1-6H3,(H2,27,28,29,30)
InChIKeyXDFMLMBIHAIMEC-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.17
Rot. Bonds4

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

5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione (PubChem CID 23560036) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione
PubChem CID23560036
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCOc1ncc(CC2NC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H31N3O3/c1-14-9-18-19(25(4,5)8-7-24(18,2)3)12-16(14)17-10-15(13-26-22(17)31-6)11-20-21(29)28-23(30)27-20/h9-10,12-13,20H,7-8,11H2,1-6H3,(H2,27,28,29,30)
InChIKeyXDFMLMBIHAIMEC-UHFFFAOYSA-N
XLogP4.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione (CID 23560036) is 5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione is COc1ncc(CC2NC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The InChIKey is XDFMLMBIHAIMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-14-9-18-19(25(4,5)8-7-24(18,2)3)12-16(14)17-10-15(13-26-22(17)31-6)11-20-21(29)28-23(30)27-20/h9-10,12-13,20H,7-8,11H2,1-6H3,(H2,27,28,29,30).
What are the key properties of 5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione has a molecular weight of 421.54 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 23560036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).