(5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione

C22H27N3O2 — CID 44818778

IUPAC(5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione
SMILESCN(CCCN1C(=O)[C@H](Cc2ccccc2)N(C)C1=O)Cc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-23(17-19-12-7-4-8-13-19)14-9-15-25-21(26)20(24(2)22(25)27)16-18-10-5-3-6-11-18/h3-8,10-13,20H,9,14-17H2,1-2H3/t20-/m0/s1
InChIKeySJNPROBAUAEALX-FQEVSTJZSA-N
MW365.48 g/mol
LogP3.01
Rot. Bonds8

About (5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione

(5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione (PubChem CID 44818778) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione
PubChem CID44818778
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione
SMILESCN(CCCN1C(=O)[C@H](Cc2ccccc2)N(C)C1=O)Cc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-23(17-19-12-7-4-8-13-19)14-9-15-25-21(26)20(24(2)22(25)27)16-18-10-5-3-6-11-18/h3-8,10-13,20H,9,14-17H2,1-2H3/t20-/m0/s1
InChIKeySJNPROBAUAEALX-FQEVSTJZSA-N
XLogP3.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
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)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione (CID 44818778) is (5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione is CN(CCCN1C(=O)[C@H](Cc2ccccc2)N(C)C1=O)Cc1ccccc1.
What is the InChIKey of (5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is SJNPROBAUAEALX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23(17-19-12-7-4-8-13-19)14-9-15-25-21(26)20(24(2)22(25)27)16-18-10-5-3-6-11-18/h3-8,10-13,20H,9,14-17H2,1-2H3/t20-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione?
(5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 365.48 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 44818778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).