5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione

C19H21N3O3 — CID 58523336

IUPAC5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)NC(CN2C=CCCC2=O)(C2=CC3=C(CCC=C3)C2)C1=O
InChIInChI=1S/C19H21N3O3/c1-21-17(24)19(20-18(21)25,12-22-9-5-4-8-16(22)23)15-10-13-6-2-3-7-14(13)11-15/h2,5-6,9-10H,3-4,7-8,11-12H2,1H3,(H,20,25)
InChIKeyYZDDLSYNQPLEAJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.02
Rot. Bonds3

About 5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione

5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58523336) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione
PubChem CID58523336
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)NC(CN2C=CCCC2=O)(C2=CC3=C(CCC=C3)C2)C1=O
InChIInChI=1S/C19H21N3O3/c1-21-17(24)19(20-18(21)25,12-22-9-5-4-8-16(22)23)15-10-13-6-2-3-7-14(13)11-15/h2,5-6,9-10H,3-4,7-8,11-12H2,1H3,(H,20,25)
InChIKeyYZDDLSYNQPLEAJ-UHFFFAOYSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione (CID 58523336) is 5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione is CN1C(=O)NC(CN2C=CCCC2=O)(C2=CC3=C(CCC=C3)C2)C1=O.
What is the InChIKey of 5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is YZDDLSYNQPLEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-17(24)19(20-18(21)25,12-22-9-5-4-8-16(22)23)15-10-13-6-2-3-7-14(13)11-15/h2,5-6,9-10H,3-4,7-8,11-12H2,1H3,(H,20,25).
What are the key properties of 5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione?
5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 339.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-1H-inden-2-yl)-3-methyl-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58523336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).