(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione

C15H17ClN2O2 — CID 7041273

IUPAC(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC=CCl)C1=O
InChIInChI=1S/C15H17ClN2O2/c1-2-9-15(12-7-4-3-5-8-12)13(19)18(11-6-10-16)14(20)17-15/h3-8,10H,2,9,11H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyQGDUAPVQSLGCRT-HNNXBMFYSA-N
MW292.77 g/mol
LogP2.99
Rot. Bonds5

About (5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione

(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione (PubChem CID 7041273) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione
PubChem CID7041273
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC=CCl)C1=O
InChIInChI=1S/C15H17ClN2O2/c1-2-9-15(12-7-4-3-5-8-12)13(19)18(11-6-10-16)14(20)17-15/h3-8,10H,2,9,11H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyQGDUAPVQSLGCRT-HNNXBMFYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
5-ethyl-5-phenyl-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71954685
(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 25465314
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 136574650
(5S)-5-phenyl-5-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40882948
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
CID 40820348
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-N-hydroxybenzamide
CID 164617546
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione (CID 7041273) is (5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione is CCC[C@@]1(c2ccccc2)NC(=O)N(CC=CCl)C1=O.
What is the InChIKey of (5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione?
The InChIKey is QGDUAPVQSLGCRT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-9-15(12-7-4-3-5-8-12)13(19)18(11-6-10-16)14(20)17-15/h3-8,10H,2,9,11H2,1H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione?
(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione has a molecular weight of 292.77 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 7041273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).