4,5-dimethyl-4H-imidazole

C5H8N2 — CID 22949045

IUPAC4,5-dimethyl-4H-imidazole
SMILESCC1=NC=NC1C
InChIInChI=1S/C5H8N2/c1-4-5(2)7-3-6-4/h3-4H,1-2H3
InChIKeyHGNJCHAPRVEDBQ-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.88
Rot. Bonds

About 4,5-dimethyl-4H-imidazole

4,5-dimethyl-4H-imidazole (PubChem CID 22949045) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 4,5-dimethyl-4H-imidazole.

Molecular Properties

Compound Name4,5-dimethyl-4H-imidazole
PubChem CID22949045
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name4,5-dimethyl-4H-imidazole
SMILESCC1=NC=NC1C
InChIInChI=1S/C5H8N2/c1-4-5(2)7-3-6-4/h3-4H,1-2H3
InChIKeyHGNJCHAPRVEDBQ-UHFFFAOYSA-N
XLogP0.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-4H-imidazole?
The IUPAC name of 4,5-dimethyl-4H-imidazole (CID 22949045) is 4,5-dimethyl-4H-imidazole.
What is the SMILES notation for 4,5-dimethyl-4H-imidazole?
The canonical SMILES for 4,5-dimethyl-4H-imidazole is CC1=NC=NC1C.
What is the InChIKey of 4,5-dimethyl-4H-imidazole?
The InChIKey is HGNJCHAPRVEDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-5(2)7-3-6-4/h3-4H,1-2H3.
What are the key properties of 4,5-dimethyl-4H-imidazole?
4,5-dimethyl-4H-imidazole has a molecular weight of 96.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-4H-imidazole is sourced from PubChem (CID 22949045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).