1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one

C13H21N5O — CID 23138284

IUPAC1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1nc(C)n2c1CN(CCN1CCNCC1)C2=O
InChIInChI=1S/C13H21N5O/c1-10-12-9-17(13(19)18(12)11(2)15-10)8-7-16-5-3-14-4-6-16/h14H,3-9H2,1-2H3
InChIKeyZHDLUKMQCJHNFJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.19
Rot. Bonds3

About 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one

1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 23138284) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID23138284
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1nc(C)n2c1CN(CCN1CCNCC1)C2=O
InChIInChI=1S/C13H21N5O/c1-10-12-9-17(13(19)18(12)11(2)15-10)8-7-16-5-3-14-4-6-16/h14H,3-9H2,1-2H3
InChIKeyZHDLUKMQCJHNFJ-UHFFFAOYSA-N
XLogP0.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one (CID 23138284) is 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one is Cc1nc(C)n2c1CN(CCN1CCNCC1)C2=O.
What is the InChIKey of 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is ZHDLUKMQCJHNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-12-9-17(13(19)18(12)11(2)15-10)8-7-16-5-3-14-4-6-16/h14H,3-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one?
1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 263.34 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 23138284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).