5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one

C12H17N5O — CID 82383902

IUPAC5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one
SMILESCc1cn2cc(C3CNC(=O)C(C)N3)n(C)c2n1
InChIInChI=1S/C12H17N5O/c1-7-5-17-6-10(16(3)12(17)14-7)9-4-13-11(18)8(2)15-9/h5-6,8-9,15H,4H2,1-3H3,(H,13,18)
InChIKeyJNUVKQABCZBJSH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.13
Rot. Bonds1

About 5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one

5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one (PubChem CID 82383902) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one
PubChem CID82383902
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one
SMILESCc1cn2cc(C3CNC(=O)C(C)N3)n(C)c2n1
InChIInChI=1S/C12H17N5O/c1-7-5-17-6-10(16(3)12(17)14-7)9-4-13-11(18)8(2)15-9/h5-6,8-9,15H,4H2,1-3H3,(H,13,18)
InChIKeyJNUVKQABCZBJSH-UHFFFAOYSA-N
XLogP0.13
TPSA63.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one?
The IUPAC name of 5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one (CID 82383902) is 5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one is Cc1cn2cc(C3CNC(=O)C(C)N3)n(C)c2n1.
What is the InChIKey of 5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one?
The InChIKey is JNUVKQABCZBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7-5-17-6-10(16(3)12(17)14-7)9-4-13-11(18)8(2)15-9/h5-6,8-9,15H,4H2,1-3H3,(H,13,18).
What are the key properties of 5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one?
5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one is sourced from PubChem (CID 82383902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).