2-phenylpyrrolo[2,3-d]imidazole

C11H7N3 — CID 89499941

IUPAC2-phenylpyrrolo[2,3-d]imidazole
SMILESC1=NC2=NC(c3ccccc3)=NC2=C1
InChIInChI=1S/C11H7N3/c1-2-4-8(5-3-1)10-13-9-6-7-12-11(9)14-10/h1-7H
InChIKeyPDONFIMNFPOTHI-UHFFFAOYSA-N
MW181.20 g/mol
LogP1.81
Rot. Bonds1

About 2-phenylpyrrolo[2,3-d]imidazole

2-phenylpyrrolo[2,3-d]imidazole (PubChem CID 89499941) has the molecular formula C11H7N3 and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-phenylpyrrolo[2,3-d]imidazole.

Molecular Properties

Compound Name2-phenylpyrrolo[2,3-d]imidazole
PubChem CID89499941
Molecular FormulaC11H7N3
Molecular Weight181.20 g/mol
Exact Mass181.06
IUPAC Name2-phenylpyrrolo[2,3-d]imidazole
SMILESC1=NC2=NC(c3ccccc3)=NC2=C1
InChIInChI=1S/C11H7N3/c1-2-4-8(5-3-1)10-13-9-6-7-12-11(9)14-10/h1-7H
InChIKeyPDONFIMNFPOTHI-UHFFFAOYSA-N
XLogP1.81
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpyrrolo[2,3-d]imidazole?
The IUPAC name of 2-phenylpyrrolo[2,3-d]imidazole (CID 89499941) is 2-phenylpyrrolo[2,3-d]imidazole.
What is the SMILES notation for 2-phenylpyrrolo[2,3-d]imidazole?
The canonical SMILES for 2-phenylpyrrolo[2,3-d]imidazole is C1=NC2=NC(c3ccccc3)=NC2=C1.
What is the InChIKey of 2-phenylpyrrolo[2,3-d]imidazole?
The InChIKey is PDONFIMNFPOTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c1-2-4-8(5-3-1)10-13-9-6-7-12-11(9)14-10/h1-7H.
What are the key properties of 2-phenylpyrrolo[2,3-d]imidazole?
2-phenylpyrrolo[2,3-d]imidazole has a molecular weight of 181.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyrrolo[2,3-d]imidazole is sourced from PubChem (CID 89499941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).