5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione

C18H24N2O2 — CID 146469778

IUPAC5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione
SMILESCCCCC(CC)CN1C(=O)NC(=O)C1=Cc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-3-5-9-14(4-2)13-20-16(17(21)19-18(20)22)12-15-10-7-6-8-11-15/h6-8,10-12,14H,3-5,9,13H2,1-2H3,(H,19,21,22)
InChIKeyVUMQDTRWASFLIU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.80
Rot. Bonds7

About 5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione

5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione (PubChem CID 146469778) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione
PubChem CID146469778
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione
SMILESCCCCC(CC)CN1C(=O)NC(=O)C1=Cc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-3-5-9-14(4-2)13-20-16(17(21)19-18(20)22)12-15-10-7-6-8-11-15/h6-8,10-12,14H,3-5,9,13H2,1-2H3,(H,19,21,22)
InChIKeyVUMQDTRWASFLIU-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-benzylidene-3-(2-ethylhexyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6006001
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
5-[(4-chlorophenyl)methylidene]-3-(2-ethylhexyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2910118
5-benzylidene-1-butyl-4-methylpyrrol-2-one
CID 155934046
(5E)-5-[(2-chlorophenyl)methylidene]-3-[(2R)-2-ethylhexyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2132126
2-(2-ethylhexyl)-6,7-dimethylbenzo[de]isoquinoline-1,3-dione
CID 157287985
11,14,22,26-tetrachloro-7,18-bis(2-ethylhexyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 59194256
3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 66789831
3-(2-hexyldecyl)-5-(3-phenylbut-2-enylidene)imidazolidine-2,4-dione
CID 139636810
4-[1-(2-ethylhexyl)-2,6-dimethyl-4-pyridinylidene]-1,2-diphenylpyrazolidine-3,5-dione
CID 71124058
7-chloro-1-(2-ethylhexyl)indole-2,3-dione
CID 63533081
5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione
CID 102293952

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione?
The IUPAC name of 5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione (CID 146469778) is 5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione is CCCCC(CC)CN1C(=O)NC(=O)C1=Cc1ccccc1.
What is the InChIKey of 5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione?
The InChIKey is VUMQDTRWASFLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-5-9-14(4-2)13-20-16(17(21)19-18(20)22)12-15-10-7-6-8-11-15/h6-8,10-12,14H,3-5,9,13H2,1-2H3,(H,19,21,22).
What are the key properties of 5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione?
5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione has a molecular weight of 300.40 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione is sourced from PubChem (CID 146469778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).