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

C6H6N2 — CID 21352920

IUPAC3H-pyrrolo[1,2-c]imidazole
SMILESC1=NCn2cccc21
InChIInChI=1S/C6H6N2/c1-2-6-4-7-5-8(6)3-1/h1-4H,5H2
InChIKeyQNPRCRKKCVQFSO-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.88
Rot. Bonds

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

3H-pyrrolo[1,2-c]imidazole (PubChem CID 21352920) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 3H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name3H-pyrrolo[1,2-c]imidazole
PubChem CID21352920
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name3H-pyrrolo[1,2-c]imidazole
SMILESC1=NCn2cccc21
InChIInChI=1S/C6H6N2/c1-2-6-4-7-5-8(6)3-1/h1-4H,5H2
InChIKeyQNPRCRKKCVQFSO-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
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-c]imidazole?
The IUPAC name of 3H-pyrrolo[1,2-c]imidazole (CID 21352920) is 3H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for 3H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for 3H-pyrrolo[1,2-c]imidazole is C1=NCn2cccc21.
What is the InChIKey of 3H-pyrrolo[1,2-c]imidazole?
The InChIKey is QNPRCRKKCVQFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-6-4-7-5-8(6)3-1/h1-4H,5H2.
What are the key properties of 3H-pyrrolo[1,2-c]imidazole?
3H-pyrrolo[1,2-c]imidazole has a molecular weight of 106.13 g/mol, XLogP of 0.88, 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-c]imidazole is sourced from PubChem (CID 21352920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).