(2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one

C19H21N3O — CID 40531961

IUPAC(2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one
SMILESCC(C)N1CC(=O)N(/N=C\c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H21N3O/c1-15(2)21-14-18(23)22(19(21)17-11-7-4-8-12-17)20-13-16-9-5-3-6-10-16/h3-13,15,19H,14H2,1-2H3/b20-13-/t19-/m0/s1
InChIKeyLSVZDXSDYBCYDM-KYYPIKSYSA-N
MW307.40 g/mol
LogP3.27
Rot. Bonds4

About (2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one

(2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one (PubChem CID 40531961) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one
PubChem CID40531961
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one
SMILESCC(C)N1CC(=O)N(/N=C\c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H21N3O/c1-15(2)21-14-18(23)22(19(21)17-11-7-4-8-12-17)20-13-16-9-5-3-6-10-16/h3-13,15,19H,14H2,1-2H3/b20-13-/t19-/m0/s1
InChIKeyLSVZDXSDYBCYDM-KYYPIKSYSA-N
XLogP3.27
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(Z)-[(2S)-2-(4-methoxycarbonylphenyl)-5-oxo-3-propan-2-ylimidazolidin-1-yl]iminomethyl]benzoate
CID 6553439
4-[(Z)-[(2S)-3-benzyl-2-(4-carboxyphenyl)-5-oxoimidazolidin-1-yl]iminomethyl]benzoic acid
CID 94846815
(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one
CID 805397
(4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one
CID 11111070
1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione
CID 154222239
3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 91945300
1-methyl-2-phenyl-3-propan-2-ylimidazolidine
CID 10398006
(E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
CID 92858993
(E)-N-[(4R,5S)-3-[(Z)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
CID 92529360
(E)-N-[(4S,5S)-2-oxido-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-ium-2-yl]-1-phenylmethanimine
CID 177413293
1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one
CID 71329991
4-[(E)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 5469638

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one?
The IUPAC name of (2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one (CID 40531961) is (2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for (2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one?
The canonical SMILES for (2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one is CC(C)N1CC(=O)N(/N=C\c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one?
The InChIKey is LSVZDXSDYBCYDM-KYYPIKSYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15(2)21-14-18(23)22(19(21)17-11-7-4-8-12-17)20-13-16-9-5-3-6-10-16/h3-13,15,19H,14H2,1-2H3/b20-13-/t19-/m0/s1.
What are the key properties of (2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one?
(2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one has a molecular weight of 307.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 40531961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).