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

C13H14N2O — CID 3059511

IUPAC2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
SMILESCC1N=C2CC(c3ccccc3)CN2C1=O
InChIInChI=1S/C13H14N2O/c1-9-13(16)15-8-11(7-12(15)14-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyWCJGWLKGVZBVIR-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.80
Rot. Bonds1

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

2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one (PubChem CID 3059511) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one.

Molecular Properties

Compound Name2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
PubChem CID3059511
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
SMILESCC1N=C2CC(c3ccccc3)CN2C1=O
InChIInChI=1S/C13H14N2O/c1-9-13(16)15-8-11(7-12(15)14-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyWCJGWLKGVZBVIR-UHFFFAOYSA-N
XLogP1.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
The IUPAC name of 2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one (CID 3059511) is 2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one.
What is the SMILES notation for 2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
The canonical SMILES for 2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one is CC1N=C2CC(c3ccccc3)CN2C1=O.
What is the InChIKey of 2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
The InChIKey is WCJGWLKGVZBVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-13(16)15-8-11(7-12(15)14-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one has a molecular weight of 214.27 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one is sourced from PubChem (CID 3059511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).