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

C26H29FN2O3 — CID 69461321

IUPAC5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1c(F)cc(C=C2NC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H29FN2O3/c1-14-9-18-19(26(4,5)8-7-25(18,2)3)13-16(14)17-10-15(11-20(27)22(17)32-6)12-21-23(30)29-24(31)28-21/h9-13H,7-8H2,1-6H3,(H2,28,29,30,31)
InChIKeySUYYCRXTHHVNIK-UHFFFAOYSA-N
MW436.53 g/mol
LogP5.34
Rot. Bonds3

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

5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 69461321) has the molecular formula C26H29FN2O3 and a molecular weight of 436.53 g/mol. Its IUPAC name is 5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID69461321
Molecular FormulaC26H29FN2O3
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC Name5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1c(F)cc(C=C2NC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H29FN2O3/c1-14-9-18-19(26(4,5)8-7-25(18,2)3)13-16(14)17-10-15(11-20(27)22(17)32-6)12-21-23(30)29-24(31)28-21/h9-13H,7-8H2,1-6H3,(H2,28,29,30,31)
InChIKeySUYYCRXTHHVNIK-UHFFFAOYSA-N
XLogP5.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 55.34
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'}

Analyze 5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]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-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione (CID 69461321) is 5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione is COc1c(F)cc(C=C2NC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is SUYYCRXTHHVNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O3/c1-14-9-18-19(26(4,5)8-7-25(18,2)3)13-16(14)17-10-15(11-20(27)22(17)32-6)12-21-23(30)29-24(31)28-21/h9-13H,7-8H2,1-6H3,(H2,28,29,30,31).
What are the key properties of 5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 436.53 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 69461321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).