3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one

C26H27N3O — CID 610510

IUPAC3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one
SMILES[H]/N=C1/N(Cc2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)N1C(C)(C)C
InChIInChI=1S/C26H27N3O/c1-25(2,3)29-24(27)28(19-20-13-7-4-8-14-20)23(30)26(29,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,27H,19H2,1-3H3/b27-24-
InChIKeyUIXNWPIVIIAOQY-PNHLSOANSA-N
MW397.52 g/mol
LogP5.01
Rot. Bonds4

About 3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one

3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one (PubChem CID 610510) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one
PubChem CID610510
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one
SMILES[H]/N=C1/N(Cc2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)N1C(C)(C)C
InChIInChI=1S/C26H27N3O/c1-25(2,3)29-24(27)28(19-20-13-7-4-8-14-20)23(30)26(29,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,27H,19H2,1-3H3/b27-24-
InChIKeyUIXNWPIVIIAOQY-PNHLSOANSA-N
XLogP5.01
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138390340
1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one
CID 138390342
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
1-benzylpyrrole-2,5-diimine
CID 151437818
3-benzyl-5,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 10904013
1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
CID 138391184
4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one
CID 138388722
1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one
CID 138390974
(3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one
CID 101480970
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
3-benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
1-benzyl-5-phenyl-5-sulfanyl-1,3-diazinane-2,4,6-trione
CID 22149443

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one?
The IUPAC name of 3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one (CID 610510) is 3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one.
What is the SMILES notation for 3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one?
The canonical SMILES for 3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one is [H]/N=C1/N(Cc2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)N1C(C)(C)C.
What is the InChIKey of 3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one?
The InChIKey is UIXNWPIVIIAOQY-PNHLSOANSA-N. The full InChI is InChI=1S/C26H27N3O/c1-25(2,3)29-24(27)28(19-20-13-7-4-8-14-20)23(30)26(29,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,27H,19H2,1-3H3/b27-24-.
What are the key properties of 3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one?
3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one has a molecular weight of 397.52 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one is sourced from PubChem (CID 610510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).