(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

C16H21N3O2 — CID 9184509

IUPAC(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCN(Cc1ccccc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O
InChIInChI=1S/C16H21N3O2/c1-16(13-8-9-13)14(20)19(15(21)17-16)11-18(2)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,21)/t16-/m0/s1
InChIKeyFRQUPPAVGMMCBR-INIZCTEOSA-N
MW287.36 g/mol
LogP1.80
Rot. Bonds5

About (5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 9184509) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID9184509
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCN(Cc1ccccc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O
InChIInChI=1S/C16H21N3O2/c1-16(13-8-9-13)14(20)19(15(21)17-16)11-18(2)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,21)/t16-/m0/s1
InChIKeyFRQUPPAVGMMCBR-INIZCTEOSA-N
XLogP1.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.80
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 (5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 9184509) is (5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is CN(Cc1ccccc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O.
What is the InChIKey of (5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is FRQUPPAVGMMCBR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(13-8-9-13)14(20)19(15(21)17-16)11-18(2)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,21)/t16-/m0/s1.
What are the key properties of (5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 9184509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).