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

C18H30N4 — CID 159068138

IUPAC1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane
SMILESC.Cc1ccn(C)c1.Cc1ccn(C)c1.Cc1cn(C)cn1
InChIInChI=1S/2C6H9N.C5H8N2.CH4/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;1H4
InChIKeyJZHUHKXTGSDHNJ-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.03
Rot. Bonds

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

1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane (PubChem CID 159068138) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane.

Molecular Properties

Compound Name1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane
PubChem CID159068138
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane
SMILESC.Cc1ccn(C)c1.Cc1ccn(C)c1.Cc1cn(C)cn1
InChIInChI=1S/2C6H9N.C5H8N2.CH4/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;1H4
InChIKeyJZHUHKXTGSDHNJ-UHFFFAOYSA-N
XLogP4.03
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane?
The IUPAC name of 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane (CID 159068138) is 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane.
What is the SMILES notation for 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane?
The canonical SMILES for 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane is C.Cc1ccn(C)c1.Cc1ccn(C)c1.Cc1cn(C)cn1.
What is the InChIKey of 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane?
The InChIKey is JZHUHKXTGSDHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.C5H8N2.CH4/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;1H4.
What are the key properties of 1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane?
1,4-dimethylimidazole;bis(1,3-dimethylpyrrole);methane has a molecular weight of 302.47 g/mol, XLogP of 4.03, 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);methane is sourced from PubChem (CID 159068138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).