3H-pyrrolo[1,2-a]imidazole

C6H6N2 — CID 67373894

IUPAC3H-pyrrolo[1,2-a]imidazole
SMILESC1=Nc2cccn2C1
InChIInChI=1S/C6H6N2/c1-2-6-7-3-5-8(6)4-1/h1-4H,5H2
InChIKeyIIOKDOJKJGCOEP-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.20
Rot. Bonds

About 3H-pyrrolo[1,2-a]imidazole

3H-pyrrolo[1,2-a]imidazole (PubChem CID 67373894) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 3H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name3H-pyrrolo[1,2-a]imidazole
PubChem CID67373894
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name3H-pyrrolo[1,2-a]imidazole
SMILESC1=Nc2cccn2C1
InChIInChI=1S/C6H6N2/c1-2-6-7-3-5-8(6)4-1/h1-4H,5H2
InChIKeyIIOKDOJKJGCOEP-UHFFFAOYSA-N
XLogP1.20
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 3H-pyrrolo[1,2-a]imidazole (CID 67373894) is 3H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 3H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 3H-pyrrolo[1,2-a]imidazole is C1=Nc2cccn2C1.
What is the InChIKey of 3H-pyrrolo[1,2-a]imidazole?
The InChIKey is IIOKDOJKJGCOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-6-7-3-5-8(6)4-1/h1-4H,5H2.
What are the key properties of 3H-pyrrolo[1,2-a]imidazole?
3H-pyrrolo[1,2-a]imidazole has a molecular weight of 106.13 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 67373894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).