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

C15H18N2O — CID 3059512

IUPAC6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
SMILESCC(C)C1N=C2CC(c3ccccc3)CN2C1=O
InChIInChI=1S/C15H18N2O/c1-10(2)14-15(18)17-9-12(8-13(17)16-14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyQPTIGEGEOUALSJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.44
Rot. Bonds2

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

6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one (PubChem CID 3059512) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one.

Molecular Properties

Compound Name6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
PubChem CID3059512
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
SMILESCC(C)C1N=C2CC(c3ccccc3)CN2C1=O
InChIInChI=1S/C15H18N2O/c1-10(2)14-15(18)17-9-12(8-13(17)16-14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyQPTIGEGEOUALSJ-UHFFFAOYSA-N
XLogP2.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
The IUPAC name of 6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one (CID 3059512) is 6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one.
What is the SMILES notation for 6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
The canonical SMILES for 6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one is CC(C)C1N=C2CC(c3ccccc3)CN2C1=O.
What is the InChIKey of 6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
The InChIKey is QPTIGEGEOUALSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(2)14-15(18)17-9-12(8-13(17)16-14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3.
What are the key properties of 6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one?
6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one has a molecular weight of 242.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one is sourced from PubChem (CID 3059512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).