5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole

C8H10N4 — CID 23542588

IUPAC5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole
SMILESCC1=NC(C2=NCC(C)=N2)=NC1
InChIInChI=1S/C8H10N4/c1-5-3-9-7(11-5)8-10-4-6(2)12-8/h3-4H2,1-2H3
InChIKeyGTNPTMUUWSTJNB-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.73
Rot. Bonds1

About 5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole

5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole (PubChem CID 23542588) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole.

Molecular Properties

Compound Name5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole
PubChem CID23542588
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole
SMILESCC1=NC(C2=NCC(C)=N2)=NC1
InChIInChI=1S/C8H10N4/c1-5-3-9-7(11-5)8-10-4-6(2)12-8/h3-4H2,1-2H3
InChIKeyGTNPTMUUWSTJNB-UHFFFAOYSA-N
XLogP0.73
TPSA49.44 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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole?
The IUPAC name of 5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole (CID 23542588) is 5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole.
What is the SMILES notation for 5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole?
The canonical SMILES for 5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole is CC1=NC(C2=NCC(C)=N2)=NC1.
What is the InChIKey of 5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole?
The InChIKey is GTNPTMUUWSTJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5-3-9-7(11-5)8-10-4-6(2)12-8/h3-4H2,1-2H3.
What are the key properties of 5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole?
5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole has a molecular weight of 162.20 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methyl-4H-imidazol-2-yl)-4H-imidazole is sourced from PubChem (CID 23542588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).