2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid

C15H14N2O4 — CID 4838700

IUPAC2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid
SMILESO=C(O)CC1C(=O)N2CCNC2=C1C(=O)c1ccccc1
InChIInChI=1S/C15H14N2O4/c18-11(19)8-10-12(13(20)9-4-2-1-3-5-9)14-16-6-7-17(14)15(10)21/h1-5,10,16H,6-8H2,(H,18,19)
InChIKeyALQLWCDRJXHWLZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.62
Rot. Bonds4

About 2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid

2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid (PubChem CID 4838700) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid
PubChem CID4838700
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid
SMILESO=C(O)CC1C(=O)N2CCNC2=C1C(=O)c1ccccc1
InChIInChI=1S/C15H14N2O4/c18-11(19)8-10-12(13(20)9-4-2-1-3-5-9)14-16-6-7-17(14)15(10)21/h1-5,10,16H,6-8H2,(H,18,19)
InChIKeyALQLWCDRJXHWLZ-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid?
The IUPAC name of 2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid (CID 4838700) is 2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid.
What is the SMILES notation for 2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid?
The canonical SMILES for 2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid is O=C(O)CC1C(=O)N2CCNC2=C1C(=O)c1ccccc1.
What is the InChIKey of 2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid?
The InChIKey is ALQLWCDRJXHWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-11(19)8-10-12(13(20)9-4-2-1-3-5-9)14-16-6-7-17(14)15(10)21/h1-5,10,16H,6-8H2,(H,18,19).
What are the key properties of 2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid?
2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid has a molecular weight of 286.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzoyl-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl)acetic acid is sourced from PubChem (CID 4838700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).