(4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one

C21H18N2O3 — CID 134942845

IUPAC(4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one
SMILESC=C[C@H]1[C@H](C=C)N(C(=O)c2ccccc2)C(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C21H18N2O3/c1-3-17-18(4-2)23(20(25)16-13-9-6-10-14-16)21(26)22(17)19(24)15-11-7-5-8-12-15/h3-14,17-18H,1-2H2/t17-,18-/m0/s1
InChIKeyQBXXWIPKWDKIDK-ROUUACIJSA-N
MW346.39 g/mol
LogP3.51
Rot. Bonds4

About (4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one

(4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one (PubChem CID 134942845) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one
PubChem CID134942845
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name(4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one
SMILESC=C[C@H]1[C@H](C=C)N(C(=O)c2ccccc2)C(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C21H18N2O3/c1-3-17-18(4-2)23(20(25)16-13-9-6-10-14-16)21(26)22(17)19(24)15-11-7-5-8-12-15/h3-14,17-18H,1-2H2/t17-,18-/m0/s1
InChIKeyQBXXWIPKWDKIDK-ROUUACIJSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibenzoyl-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
CID 165341170
(1R,5R)-2,6-dibenzoyl-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
CID 124789510
1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one
CID 101438685
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
(3S)-1,4-dibenzoyl-3-prop-2-enylpiperazin-2-one
CID 146607210
3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one
CID 569780
3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione
CID 142659888
(3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone
CID 11128038
(2R,3S)-1-benzoyl-3-methylpyrrolidine-2-carbaldehyde
CID 88515757
1-benzoyl-5-ethenylpyrimidine-2,4-dione
CID 154453677
chloroethene;diphenylmethanone
CID 159955636

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one?
The IUPAC name of (4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one (CID 134942845) is (4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one.
What is the SMILES notation for (4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one?
The canonical SMILES for (4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one is C=C[C@H]1[C@H](C=C)N(C(=O)c2ccccc2)C(=O)N1C(=O)c1ccccc1.
What is the InChIKey of (4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one?
The InChIKey is QBXXWIPKWDKIDK-ROUUACIJSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-3-17-18(4-2)23(20(25)16-13-9-6-10-14-16)21(26)22(17)19(24)15-11-7-5-8-12-15/h3-14,17-18H,1-2H2/t17-,18-/m0/s1.
What are the key properties of (4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one?
(4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one has a molecular weight of 346.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one is sourced from PubChem (CID 134942845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).