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

C19H18N2O — CID 3059514

IUPAC2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
SMILESO=C1C(Cc2ccccc2)N=C2CC(c3ccccc3)CN12
InChIInChI=1S/C19H18N2O/c22-19-17(11-14-7-3-1-4-8-14)20-18-12-16(13-21(18)19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyBIYLWFKMRBNJOH-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.03
Rot. Bonds3

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

2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one (PubChem CID 3059514) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one.

Molecular Properties

Compound Name2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
PubChem CID3059514
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
SMILESO=C1C(Cc2ccccc2)N=C2CC(c3ccccc3)CN12
InChIInChI=1S/C19H18N2O/c22-19-17(11-14-7-3-1-4-8-14)20-18-12-16(13-21(18)19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyBIYLWFKMRBNJOH-UHFFFAOYSA-N
XLogP3.03
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
The IUPAC name of 2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one (CID 3059514) is 2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one.
What is the SMILES notation for 2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
The canonical SMILES for 2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one is O=C1C(Cc2ccccc2)N=C2CC(c3ccccc3)CN12.
What is the InChIKey of 2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
The InChIKey is BIYLWFKMRBNJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19-17(11-14-7-3-1-4-8-14)20-18-12-16(13-21(18)19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2.
What are the key properties of 2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one has a molecular weight of 290.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one is sourced from PubChem (CID 3059514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).