1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole

C13H20N4 — CID 102054829

IUPAC1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole
SMILESCc1nc(Cc2nc(C)c(C)n2C)n(C)c1C
InChIInChI=1S/C13H20N4/c1-8-10(3)16(5)12(14-8)7-13-15-9(2)11(4)17(13)6/h7H2,1-6H3
InChIKeyAIASBHUHQIHORY-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.98
Rot. Bonds2

About 1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole

1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole (PubChem CID 102054829) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole
PubChem CID102054829
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole
SMILESCc1nc(Cc2nc(C)c(C)n2C)n(C)c1C
InChIInChI=1S/C13H20N4/c1-8-10(3)16(5)12(14-8)7-13-15-9(2)11(4)17(13)6/h7H2,1-6H3
InChIKeyAIASBHUHQIHORY-UHFFFAOYSA-N
XLogP1.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole?
The IUPAC name of 1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole (CID 102054829) is 1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole.
What is the SMILES notation for 1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole?
The canonical SMILES for 1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole is Cc1nc(Cc2nc(C)c(C)n2C)n(C)c1C.
What is the InChIKey of 1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole?
The InChIKey is AIASBHUHQIHORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-8-10(3)16(5)12(14-8)7-13-15-9(2)11(4)17(13)6/h7H2,1-6H3.
What are the key properties of 1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole?
1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole has a molecular weight of 232.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]imidazole is sourced from PubChem (CID 102054829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).