2-benzylimino-1-methylimidazolidin-4-one

C11H13N3O — CID 137219218

IUPAC2-benzylimino-1-methylimidazolidin-4-one
SMILESCN1CC(=O)N/C1=N\Cc1ccccc1
InChIInChI=1S/C11H13N3O/c1-14-8-10(15)13-11(14)12-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13,15)
InChIKeyKXJAAZWXDZCARY-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.60
Rot. Bonds2

About 2-benzylimino-1-methylimidazolidin-4-one

2-benzylimino-1-methylimidazolidin-4-one (PubChem CID 137219218) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-benzylimino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-benzylimino-1-methylimidazolidin-4-one
PubChem CID137219218
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-benzylimino-1-methylimidazolidin-4-one
SMILESCN1CC(=O)N/C1=N\Cc1ccccc1
InChIInChI=1S/C11H13N3O/c1-14-8-10(15)13-11(14)12-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13,15)
InChIKeyKXJAAZWXDZCARY-UHFFFAOYSA-N
XLogP0.60
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea
CID 137225686
(2E)-2-hydrazinylidene-1-methylimidazolidin-4-one
CID 136626142
2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]benzenecarbothioamide
CID 135934426
(5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one
CID 15317454
5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one
CID 117024032
5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one
CID 170541648
4-(1-phenylpropan-2-yl)piperazine-2,6-dione
CID 63788386
2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one
CID 173253064
2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 136908251
4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 70496713
(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one
CID 136911485
N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine
CID 139018375

Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-1-methylimidazolidin-4-one?
The IUPAC name of 2-benzylimino-1-methylimidazolidin-4-one (CID 137219218) is 2-benzylimino-1-methylimidazolidin-4-one.
What is the SMILES notation for 2-benzylimino-1-methylimidazolidin-4-one?
The canonical SMILES for 2-benzylimino-1-methylimidazolidin-4-one is CN1CC(=O)N/C1=N\Cc1ccccc1.
What is the InChIKey of 2-benzylimino-1-methylimidazolidin-4-one?
The InChIKey is KXJAAZWXDZCARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-8-10(15)13-11(14)12-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13,15).
What are the key properties of 2-benzylimino-1-methylimidazolidin-4-one?
2-benzylimino-1-methylimidazolidin-4-one has a molecular weight of 203.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-1-methylimidazolidin-4-one is sourced from PubChem (CID 137219218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).