(5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione

C19H25N3O2 — CID 31882313

IUPAC(5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@H]1NC(=O)N(CN2CC=C(c3ccc(C)cc3)CC2)C1=O
InChIInChI=1S/C19H25N3O2/c1-3-4-17-18(23)22(19(24)20-17)13-21-11-9-16(10-12-21)15-7-5-14(2)6-8-15/h5-9,17H,3-4,10-13H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyLCAPIGYCKFUYDG-QGZVFWFLSA-N
MW327.43 g/mol
LogP2.76
Rot. Bonds5

About (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione

(5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 31882313) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
PubChem CID31882313
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@H]1NC(=O)N(CN2CC=C(c3ccc(C)cc3)CC2)C1=O
InChIInChI=1S/C19H25N3O2/c1-3-4-17-18(23)22(19(24)20-17)13-21-11-9-16(10-12-21)15-7-5-14(2)6-8-15/h5-9,17H,3-4,10-13H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyLCAPIGYCKFUYDG-QGZVFWFLSA-N
XLogP2.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-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 (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione (CID 31882313) is (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione is CCC[C@H]1NC(=O)N(CN2CC=C(c3ccc(C)cc3)CC2)C1=O.
What is the InChIKey of (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is LCAPIGYCKFUYDG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-4-17-18(23)22(19(24)20-17)13-21-11-9-16(10-12-21)15-7-5-14(2)6-8-15/h5-9,17H,3-4,10-13H2,1-2H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
(5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 327.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 31882313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).