5-methyl-1H-imidazole

C4H6N2 — CID 13195

IUPAC5-methyl-1H-imidazole
SMILESCc1cnc[nH]1
InChIInChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
InChIKeyXLSZMDLNRCVEIJ-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.72
Rot. Bonds

About 5-methyl-1H-imidazole

5-methyl-1H-imidazole (PubChem CID 13195) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 5-methyl-1H-imidazole.

Molecular Properties

Compound Name5-methyl-1H-imidazole
PubChem CID13195
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name5-methyl-1H-imidazole
SMILESCc1cnc[nH]1
InChIInChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
InChIKeyXLSZMDLNRCVEIJ-UHFFFAOYSA-N
XLogP0.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole?
The IUPAC name of 5-methyl-1H-imidazole (CID 13195) is 5-methyl-1H-imidazole.
What is the SMILES notation for 5-methyl-1H-imidazole?
The canonical SMILES for 5-methyl-1H-imidazole is Cc1cnc[nH]1.
What is the InChIKey of 5-methyl-1H-imidazole?
The InChIKey is XLSZMDLNRCVEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6).
What are the key properties of 5-methyl-1H-imidazole?
5-methyl-1H-imidazole has a molecular weight of 82.11 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazole is sourced from PubChem (CID 13195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).