1,4-dimethylimidazole;bis(1,3-dimethylpyrrole)

C17H26N4 — CID 157492890

IUPAC1,4-dimethylimidazole;bis(1,3-dimethylpyrrole)
SMILESCc1ccn(C)c1.Cc1ccn(C)c1.Cc1cn(C)cn1
InChIInChI=1S/2C6H9N.C5H8N2/c2*1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5/h2*3-5H,1-2H3;3-4H,1-2H3
InChIKeyBXMJXUPEXSKJGL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.40
Rot. Bonds

About 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole)

1,4-dimethylimidazole;bis(1,3-dimethylpyrrole) (PubChem CID 157492890) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole).

Molecular Properties

Compound Name1,4-dimethylimidazole;bis(1,3-dimethylpyrrole)
PubChem CID157492890
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1,4-dimethylimidazole;bis(1,3-dimethylpyrrole)
SMILESCc1ccn(C)c1.Cc1ccn(C)c1.Cc1cn(C)cn1
InChIInChI=1S/2C6H9N.C5H8N2/c2*1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5/h2*3-5H,1-2H3;3-4H,1-2H3
InChIKeyBXMJXUPEXSKJGL-UHFFFAOYSA-N
XLogP3.40
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole) 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 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole)?
The IUPAC name of 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole) (CID 157492890) is 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole).
What is the SMILES notation for 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole)?
The canonical SMILES for 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole) is Cc1ccn(C)c1.Cc1ccn(C)c1.Cc1cn(C)cn1.
What is the InChIKey of 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole)?
The InChIKey is BXMJXUPEXSKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.C5H8N2/c2*1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5/h2*3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole)?
1,4-dimethylimidazole;bis(1,3-dimethylpyrrole) has a molecular weight of 286.42 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole) is sourced from PubChem (CID 157492890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).