7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one

C13H12N2O2 — CID 14265737

IUPAC7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one
SMILESO=C(C1=C2NCCN2C(=O)C1)c1ccccc1
InChIInChI=1S/C13H12N2O2/c16-11-8-10(13-14-6-7-15(11)13)12(17)9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKeyNIKKAXPXUISADC-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.92
Rot. Bonds2

About 7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one

7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one (PubChem CID 14265737) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one.

Molecular Properties

Compound Name7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one
PubChem CID14265737
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one
SMILESO=C(C1=C2NCCN2C(=O)C1)c1ccccc1
InChIInChI=1S/C13H12N2O2/c16-11-8-10(13-14-6-7-15(11)13)12(17)9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKeyNIKKAXPXUISADC-UHFFFAOYSA-N
XLogP0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanone, 2-(2-imidazolidinylidene)-1-phenyl-
CID 821546
3-Phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2710901
1-Benzoylimidazolidin-2-one
CID 569665
N-(1-Acetylamino-2-oxo-2-phenyl-ethyl)-acetamide
CID 843399
[5-oxo-7-(phenylcarbonyl)-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]imidazol-6-yl]acetic acid
CID 4838700
1-(2-Phenylacetyl)imidazolidin-2-one
CID 674548
8-benzoyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 10331855
3-Phenacyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 2447769
N-(3-oxo-3-phenylpropyl)imidazolidin-2-one
CID 11183562
8-benzoyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one
CID 13696695
8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 14265729
9-Benzoyl-1,2,3,4,5,8-hexahydropyrrolo[1,2-a][1,3]diazepin-7-one
CID 14265735

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one?
The IUPAC name of 7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one (CID 14265737) is 7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one.
What is the SMILES notation for 7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one?
The canonical SMILES for 7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one is O=C(C1=C2NCCN2C(=O)C1)c1ccccc1.
What is the InChIKey of 7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one?
The InChIKey is NIKKAXPXUISADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-11-8-10(13-14-6-7-15(11)13)12(17)9-4-2-1-3-5-9/h1-5,14H,6-8H2.
What are the key properties of 7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one?
7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one has a molecular weight of 228.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one is sourced from PubChem (CID 14265737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).