2,4,5-trimethyl-4H-imidazole

C6H10N2 — CID 13207691

IUPAC2,4,5-trimethyl-4H-imidazole
SMILESCC1=NC(C)C(C)=N1
InChIInChI=1S/C6H10N2/c1-4-5(2)8-6(3)7-4/h4H,1-3H3
InChIKeyRXKQXUWFXMKLHV-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.27
Rot. Bonds

About 2,4,5-trimethyl-4H-imidazole

2,4,5-trimethyl-4H-imidazole (PubChem CID 13207691) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,4,5-trimethyl-4H-imidazole.

Molecular Properties

Compound Name2,4,5-trimethyl-4H-imidazole
PubChem CID13207691
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2,4,5-trimethyl-4H-imidazole
SMILESCC1=NC(C)C(C)=N1
InChIInChI=1S/C6H10N2/c1-4-5(2)8-6(3)7-4/h4H,1-3H3
InChIKeyRXKQXUWFXMKLHV-UHFFFAOYSA-N
XLogP1.27
TPSA24.72 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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-4H-imidazole?
The IUPAC name of 2,4,5-trimethyl-4H-imidazole (CID 13207691) is 2,4,5-trimethyl-4H-imidazole.
What is the SMILES notation for 2,4,5-trimethyl-4H-imidazole?
The canonical SMILES for 2,4,5-trimethyl-4H-imidazole is CC1=NC(C)C(C)=N1.
What is the InChIKey of 2,4,5-trimethyl-4H-imidazole?
The InChIKey is RXKQXUWFXMKLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-5(2)8-6(3)7-4/h4H,1-3H3.
What are the key properties of 2,4,5-trimethyl-4H-imidazole?
2,4,5-trimethyl-4H-imidazole has a molecular weight of 110.16 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-4H-imidazole is sourced from PubChem (CID 13207691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).