1,4,5-trimethylimidazole

C6H10N2 — CID 573598

IUPAC1,4,5-trimethylimidazole
SMILESCc1ncn(C)c1C
InChIInChI=1S/C6H10N2/c1-5-6(2)8(3)4-7-5/h4H,1-3H3
InChIKeyRDTIFYBSPQERAS-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.04
Rot. Bonds

About 1,4,5-trimethylimidazole

1,4,5-trimethylimidazole (PubChem CID 573598) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1,4,5-trimethylimidazole.

Molecular Properties

Compound Name1,4,5-trimethylimidazole
PubChem CID573598
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1,4,5-trimethylimidazole
SMILESCc1ncn(C)c1C
InChIInChI=1S/C6H10N2/c1-5-6(2)8(3)4-7-5/h4H,1-3H3
InChIKeyRDTIFYBSPQERAS-UHFFFAOYSA-N
XLogP1.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethylimidazole?
The IUPAC name of 1,4,5-trimethylimidazole (CID 573598) is 1,4,5-trimethylimidazole.
What is the SMILES notation for 1,4,5-trimethylimidazole?
The canonical SMILES for 1,4,5-trimethylimidazole is Cc1ncn(C)c1C.
What is the InChIKey of 1,4,5-trimethylimidazole?
The InChIKey is RDTIFYBSPQERAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-6(2)8(3)4-7-5/h4H,1-3H3.
What are the key properties of 1,4,5-trimethylimidazole?
1,4,5-trimethylimidazole has a molecular weight of 110.16 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethylimidazole is sourced from PubChem (CID 573598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).