1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione

C21H22N2O3 — CID 14682588

IUPAC1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione
SMILESCN1C(=O)[C@H](Cc2ccccc2)N(C(=O)C(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C21H22N2O3/c1-21(2)22(3)19(25)17(14-15-10-6-4-7-11-15)23(21)20(26)18(24)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3/t17-/m0/s1
InChIKeyDTILSBHOPKSQMB-KRWDZBQOSA-N
MW350.42 g/mol
LogP2.52
Rot. Bonds4

About 1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione

1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione (PubChem CID 14682588) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione
PubChem CID14682588
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione
SMILESCN1C(=O)[C@H](Cc2ccccc2)N(C(=O)C(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C21H22N2O3/c1-21(2)22(3)19(25)17(14-15-10-6-4-7-11-15)23(21)20(26)18(24)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3/t17-/m0/s1
InChIKeyDTILSBHOPKSQMB-KRWDZBQOSA-N
XLogP2.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione (CID 14682588) is 1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione is CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)C(=O)c2ccccc2)C1(C)C.
What is the InChIKey of 1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione?
The InChIKey is DTILSBHOPKSQMB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-21(2)22(3)19(25)17(14-15-10-6-4-7-11-15)23(21)20(26)18(24)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione?
1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione has a molecular weight of 350.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-yl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 14682588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).