1-methyl-5-(3-methylimidazol-4-yl)imidazole

C8H10N4 — CID 138115344

IUPAC1-methyl-5-(3-methylimidazol-4-yl)imidazole
SMILESCn1cncc1-c1cncn1C
InChIInChI=1S/C8H10N4/c1-11-5-9-3-7(11)8-4-10-6-12(8)2/h3-6H,1-2H3
InChIKeyKQTZYCDUNMRIRL-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.82
Rot. Bonds1

About 1-methyl-5-(3-methylimidazol-4-yl)imidazole

1-methyl-5-(3-methylimidazol-4-yl)imidazole (PubChem CID 138115344) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-methyl-5-(3-methylimidazol-4-yl)imidazole.

Molecular Properties

Compound Name1-methyl-5-(3-methylimidazol-4-yl)imidazole
PubChem CID138115344
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1-methyl-5-(3-methylimidazol-4-yl)imidazole
SMILESCn1cncc1-c1cncn1C
InChIInChI=1S/C8H10N4/c1-11-5-9-3-7(11)8-4-10-6-12(8)2/h3-6H,1-2H3
InChIKeyKQTZYCDUNMRIRL-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-5-(3-methylimidazol-4-yl)imidazole?
The IUPAC name of 1-methyl-5-(3-methylimidazol-4-yl)imidazole (CID 138115344) is 1-methyl-5-(3-methylimidazol-4-yl)imidazole.
What is the SMILES notation for 1-methyl-5-(3-methylimidazol-4-yl)imidazole?
The canonical SMILES for 1-methyl-5-(3-methylimidazol-4-yl)imidazole is Cn1cncc1-c1cncn1C.
What is the InChIKey of 1-methyl-5-(3-methylimidazol-4-yl)imidazole?
The InChIKey is KQTZYCDUNMRIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-11-5-9-3-7(11)8-4-10-6-12(8)2/h3-6H,1-2H3.
What are the key properties of 1-methyl-5-(3-methylimidazol-4-yl)imidazole?
1-methyl-5-(3-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-5-(3-methylimidazol-4-yl)imidazole is sourced from PubChem (CID 138115344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).