(5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione

C21H32N4O2 — CID 9172270

IUPAC(5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@H]1NC(=O)N(CN2CCN(Cc3ccc(C(C)C)cc3)CC2)C1=O
InChIInChI=1S/C21H32N4O2/c1-4-5-19-20(26)25(21(27)22-19)15-24-12-10-23(11-13-24)14-17-6-8-18(9-7-17)16(2)3/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,22,27)/t19-/m0/s1
InChIKeyRMSCIRRVEXPKHU-IBGZPJMESA-N
MW372.51 g/mol
LogP2.61
Rot. Bonds7

About (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione

(5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 9172270) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
PubChem CID9172270
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name(5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@H]1NC(=O)N(CN2CCN(Cc3ccc(C(C)C)cc3)CC2)C1=O
InChIInChI=1S/C21H32N4O2/c1-4-5-19-20(26)25(21(27)22-19)15-24-12-10-23(11-13-24)14-17-6-8-18(9-7-17)16(2)3/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,22,27)/t19-/m0/s1
InChIKeyRMSCIRRVEXPKHU-IBGZPJMESA-N
XLogP2.61
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-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 (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione (CID 9172270) is (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione is CCC[C@@H]1NC(=O)N(CN2CCN(Cc3ccc(C(C)C)cc3)CC2)C1=O.
What is the InChIKey of (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is RMSCIRRVEXPKHU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-5-19-20(26)25(21(27)22-19)15-24-12-10-23(11-13-24)14-17-6-8-18(9-7-17)16(2)3/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,22,27)/t19-/m0/s1.
What are the key properties of (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
(5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 372.51 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 9172270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).