(5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one

C12H13N3O — CID 136665060

IUPAC(5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one
SMILESC/N=C1\NC(=O)/C(=C\c2ccccc2)N1C
InChIInChI=1S/C12H13N3O/c1-13-12-14-11(16)10(15(12)2)8-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,16)/b10-8+
InChIKeyGZZQPSIITBWRIH-CSKARUKUSA-N
MW215.26 g/mol
LogP1.07
Rot. Bonds1

About (5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one

(5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one (PubChem CID 136665060) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one
PubChem CID136665060
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one
SMILESC/N=C1\NC(=O)/C(=C\c2ccccc2)N1C
InChIInChI=1S/C12H13N3O/c1-13-12-14-11(16)10(15(12)2)8-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,16)/b10-8+
InChIKeyGZZQPSIITBWRIH-CSKARUKUSA-N
XLogP1.07
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(4-fluorophenyl)methylidene]-1-methylimidazolidine-2,4-dione
CID 19589561
5-benzylidene-1,3-dimethylimidazolidine-2,4-dione
CID 71360236
1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione
CID 2751742
(5E)-5-benzylidene-1-methyl-1,3-azaborolidine-2,4-dione
CID 143832241
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea
CID 137122963
N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide
CID 135521679
(5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one
CID 154735381
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione
CID 146469778
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
4-benzylidenepyrazolidine-3,5-dione
CID 68539282

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one (CID 136665060) is (5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one is C/N=C1\NC(=O)/C(=C\c2ccccc2)N1C.
What is the InChIKey of (5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one?
The InChIKey is GZZQPSIITBWRIH-CSKARUKUSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-12-14-11(16)10(15(12)2)8-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,16)/b10-8+.
What are the key properties of (5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one?
(5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one has a molecular weight of 215.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-1-methyl-2-methyliminoimidazolidin-4-one is sourced from PubChem (CID 136665060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).