7-phenylpyrrolo[1,2-a]imidazol-5-one

C12H8N2O — CID 10703030

IUPAC7-phenylpyrrolo[1,2-a]imidazol-5-one
SMILESO=C1C=C(c2ccccc2)c2nccn21
InChIInChI=1S/C12H8N2O/c15-11-8-10(9-4-2-1-3-5-9)12-13-6-7-14(11)12/h1-8H
InChIKeyCWNKIFIXVQWFJG-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.97
Rot. Bonds1

About 7-phenylpyrrolo[1,2-a]imidazol-5-one

7-phenylpyrrolo[1,2-a]imidazol-5-one (PubChem CID 10703030) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 7-phenylpyrrolo[1,2-a]imidazol-5-one.

Molecular Properties

Compound Name7-phenylpyrrolo[1,2-a]imidazol-5-one
PubChem CID10703030
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name7-phenylpyrrolo[1,2-a]imidazol-5-one
SMILESO=C1C=C(c2ccccc2)c2nccn21
InChIInChI=1S/C12H8N2O/c15-11-8-10(9-4-2-1-3-5-9)12-13-6-7-14(11)12/h1-8H
InChIKeyCWNKIFIXVQWFJG-UHFFFAOYSA-N
XLogP1.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenylpyrrolo[1,2-a]imidazol-5-one?
The IUPAC name of 7-phenylpyrrolo[1,2-a]imidazol-5-one (CID 10703030) is 7-phenylpyrrolo[1,2-a]imidazol-5-one.
What is the SMILES notation for 7-phenylpyrrolo[1,2-a]imidazol-5-one?
The canonical SMILES for 7-phenylpyrrolo[1,2-a]imidazol-5-one is O=C1C=C(c2ccccc2)c2nccn21.
What is the InChIKey of 7-phenylpyrrolo[1,2-a]imidazol-5-one?
The InChIKey is CWNKIFIXVQWFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-11-8-10(9-4-2-1-3-5-9)12-13-6-7-14(11)12/h1-8H.
What are the key properties of 7-phenylpyrrolo[1,2-a]imidazol-5-one?
7-phenylpyrrolo[1,2-a]imidazol-5-one has a molecular weight of 196.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylpyrrolo[1,2-a]imidazol-5-one is sourced from PubChem (CID 10703030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).