2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid

C13H12N2O2 — CID 82391245

IUPAC2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
SMILESO=C(O)C1Cc2nc(-c3ccccc3)cn2C1
InChIInChI=1S/C13H12N2O2/c16-13(17)10-6-12-14-11(8-15(12)7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,16,17)
InChIKeyJRFAOMSWCSTINR-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.81
Rot. Bonds2

About 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid

2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid (PubChem CID 82391245) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
PubChem CID82391245
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
SMILESO=C(O)C1Cc2nc(-c3ccccc3)cn2C1
InChIInChI=1S/C13H12N2O2/c16-13(17)10-6-12-14-11(8-15(12)7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,16,17)
InChIKeyJRFAOMSWCSTINR-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid?
The IUPAC name of 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid (CID 82391245) is 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid?
The canonical SMILES for 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid is O=C(O)C1Cc2nc(-c3ccccc3)cn2C1.
What is the InChIKey of 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid?
The InChIKey is JRFAOMSWCSTINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)10-6-12-14-11(8-15(12)7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,16,17).
What are the key properties of 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid?
2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid is sourced from PubChem (CID 82391245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).