1-methyl-2-(1-methylimidazol-4-yl)imidazole

C8H10N4 — CID 15897140

IUPAC1-methyl-2-(1-methylimidazol-4-yl)imidazole
SMILESCn1cnc(-c2nccn2C)c1
InChIInChI=1S/C8H10N4/c1-11-5-7(10-6-11)8-9-3-4-12(8)2/h3-6H,1-2H3
InChIKeyJUQXBTOZALQARD-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.82
Rot. Bonds1

About 1-methyl-2-(1-methylimidazol-4-yl)imidazole

1-methyl-2-(1-methylimidazol-4-yl)imidazole (PubChem CID 15897140) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-methyl-2-(1-methylimidazol-4-yl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(1-methylimidazol-4-yl)imidazole
PubChem CID15897140
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1-methyl-2-(1-methylimidazol-4-yl)imidazole
SMILESCn1cnc(-c2nccn2C)c1
InChIInChI=1S/C8H10N4/c1-11-5-7(10-6-11)8-9-3-4-12(8)2/h3-6H,1-2H3
InChIKeyJUQXBTOZALQARD-UHFFFAOYSA-N
XLogP0.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylimidazol-4-yl)imidazole?
The IUPAC name of 1-methyl-2-(1-methylimidazol-4-yl)imidazole (CID 15897140) is 1-methyl-2-(1-methylimidazol-4-yl)imidazole.
What is the SMILES notation for 1-methyl-2-(1-methylimidazol-4-yl)imidazole?
The canonical SMILES for 1-methyl-2-(1-methylimidazol-4-yl)imidazole is Cn1cnc(-c2nccn2C)c1.
What is the InChIKey of 1-methyl-2-(1-methylimidazol-4-yl)imidazole?
The InChIKey is JUQXBTOZALQARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-11-5-7(10-6-11)8-9-3-4-12(8)2/h3-6H,1-2H3.
What are the key properties of 1-methyl-2-(1-methylimidazol-4-yl)imidazole?
1-methyl-2-(1-methylimidazol-4-yl)imidazole has a molecular weight of 162.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylimidazol-4-yl)imidazole is sourced from PubChem (CID 15897140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).