(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C18H22N4O3 — CID 94616491

IUPAC(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccccn2)C1=O
InChIInChI=1S/C18H22N4O3/c1-18(12-7-8-12)16(24)22(17(25)20-18)11-15(23)21-10-4-6-14(21)13-5-2-3-9-19-13/h2-3,5,9,12,14H,4,6-8,10-11H2,1H3,(H,20,25)/t14-,18-/m1/s1
InChIKeyRJBOICZHALPFQY-RDTXWAMCSA-N
MW342.40 g/mol
LogP1.47
Rot. Bonds4

About (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 94616491) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID94616491
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccccn2)C1=O
InChIInChI=1S/C18H22N4O3/c1-18(12-7-8-12)16(24)22(17(25)20-18)11-15(23)21-10-4-6-14(21)13-5-2-3-9-19-13/h2-3,5,9,12,14H,4,6-8,10-11H2,1H3,(H,20,25)/t14-,18-/m1/s1
InChIKeyRJBOICZHALPFQY-RDTXWAMCSA-N
XLogP1.47
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]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 (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 94616491) is (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccccn2)C1=O.
What is the InChIKey of (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is RJBOICZHALPFQY-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(12-7-8-12)16(24)22(17(25)20-18)11-15(23)21-10-4-6-14(21)13-5-2-3-9-19-13/h2-3,5,9,12,14H,4,6-8,10-11H2,1H3,(H,20,25)/t14-,18-/m1/s1.
What are the key properties of (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 94616491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).