5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione

C24H27N3O4 — CID 60617451

IUPAC5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CC(=O)/C=C3\N(C)c4ccccc4C3(C)C)C2=O)c(C)o1
InChIInChI=1S/C24H27N3O4/c1-14-11-18(15(2)31-14)24(5)21(29)27(22(30)25-24)13-16(28)12-20-23(3,4)17-9-7-8-10-19(17)26(20)6/h7-12H,13H2,1-6H3,(H,25,30)/b20-12-
InChIKeySWPVOXLZYOHXNE-NDENLUEZSA-N
MW421.50 g/mol
LogP3.54
Rot. Bonds4

About 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione

5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione (PubChem CID 60617451) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
PubChem CID60617451
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CC(=O)/C=C3\N(C)c4ccccc4C3(C)C)C2=O)c(C)o1
InChIInChI=1S/C24H27N3O4/c1-14-11-18(15(2)31-14)24(5)21(29)27(22(30)25-24)13-16(28)12-20-23(3,4)17-9-7-8-10-19(17)26(20)6/h7-12H,13H2,1-6H3,(H,25,30)/b20-12-
InChIKeySWPVOXLZYOHXNE-NDENLUEZSA-N
XLogP3.54
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione (CID 60617451) is 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione is Cc1cc(C2(C)NC(=O)N(CC(=O)/C=C3\N(C)c4ccccc4C3(C)C)C2=O)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
The InChIKey is SWPVOXLZYOHXNE-NDENLUEZSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-14-11-18(15(2)31-14)24(5)21(29)27(22(30)25-24)13-16(28)12-20-23(3,4)17-9-7-8-10-19(17)26(20)6/h7-12H,13H2,1-6H3,(H,25,30)/b20-12-.
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione has a molecular weight of 421.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60617451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).