6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole

C9H11N3 — CID 88992254

IUPAC6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole
SMILESC=Cc1nc2n(C)ccn2c1C
InChIInChI=1S/C9H11N3/c1-4-8-7(2)12-6-5-11(3)9(12)10-8/h4-6H,1H2,2-3H3
InChIKeySMHJUELWMIWWCG-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.62
Rot. Bonds1

About 6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole

6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole (PubChem CID 88992254) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole
PubChem CID88992254
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole
SMILESC=Cc1nc2n(C)ccn2c1C
InChIInChI=1S/C9H11N3/c1-4-8-7(2)12-6-5-11(3)9(12)10-8/h4-6H,1H2,2-3H3
InChIKeySMHJUELWMIWWCG-UHFFFAOYSA-N
XLogP1.62
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole?
The IUPAC name of 6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole (CID 88992254) is 6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole.
What is the SMILES notation for 6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole?
The canonical SMILES for 6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole is C=Cc1nc2n(C)ccn2c1C.
What is the InChIKey of 6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole?
The InChIKey is SMHJUELWMIWWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-4-8-7(2)12-6-5-11(3)9(12)10-8/h4-6H,1H2,2-3H3.
What are the key properties of 6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole?
6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole has a molecular weight of 161.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,5-dimethylimidazo[1,2-a]imidazole is sourced from PubChem (CID 88992254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).