(5E)-5-benzylideneimidazolidine-2,4-dione;ethane

C12H14N2O2 — CID 91247316

IUPAC(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
SMILESCC.O=C1NC(=O)/C(=C\c2ccccc2)N1
InChIInChI=1S/C10H8N2O2.C2H6/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7;1-2/h1-6H,(H2,11,12,13,14);1-2H3/b8-6+;
InChIKeyNKPVMTLUYFKTKR-WVLIHFOGSA-N
MW218.26 g/mol
LogP1.89
Rot. Bonds1

About (5E)-5-benzylideneimidazolidine-2,4-dione;ethane

(5E)-5-benzylideneimidazolidine-2,4-dione;ethane (PubChem CID 91247316) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (5E)-5-benzylideneimidazolidine-2,4-dione;ethane.

Molecular Properties

Compound Name(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
PubChem CID91247316
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
SMILESCC.O=C1NC(=O)/C(=C\c2ccccc2)N1
InChIInChI=1S/C10H8N2O2.C2H6/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7;1-2/h1-6H,(H2,11,12,13,14);1-2H3/b8-6+;
InChIKeyNKPVMTLUYFKTKR-WVLIHFOGSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
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-[(3-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 44590759
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
4-benzylidene-5-sulfanylideneimidazolidin-2-one
CID 71365498
(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione
CID 18345973
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
(3E)-3-benzylidene-6-sulfanylidenepiperazine-2,5-dione
CID 167946469
5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione
CID 4532937
(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 50853485
5-cinnamylideneimidazolidine-2,4-dione
CID 965914
5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3930330
N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide
CID 6378980

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylideneimidazolidine-2,4-dione;ethane?
The IUPAC name of (5E)-5-benzylideneimidazolidine-2,4-dione;ethane (CID 91247316) is (5E)-5-benzylideneimidazolidine-2,4-dione;ethane.
What is the SMILES notation for (5E)-5-benzylideneimidazolidine-2,4-dione;ethane?
The canonical SMILES for (5E)-5-benzylideneimidazolidine-2,4-dione;ethane is CC.O=C1NC(=O)/C(=C\c2ccccc2)N1.
What is the InChIKey of (5E)-5-benzylideneimidazolidine-2,4-dione;ethane?
The InChIKey is NKPVMTLUYFKTKR-WVLIHFOGSA-N. The full InChI is InChI=1S/C10H8N2O2.C2H6/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7;1-2/h1-6H,(H2,11,12,13,14);1-2H3/b8-6+;.
What are the key properties of (5E)-5-benzylideneimidazolidine-2,4-dione;ethane?
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane has a molecular weight of 218.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylideneimidazolidine-2,4-dione;ethane is sourced from PubChem (CID 91247316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).