4-methylimidazole

C4H4N2 — CID 154517141

IUPAC4-methylimidazole
SMILESCC1=CN=C=N1
InChIInChI=1S/C4H4N2/c1-4-2-5-3-6-4/h2H,1H3
InChIKeyOTNISIPZZZMHJX-UHFFFAOYSA-N
MW80.09 g/mol
LogP1.04
Rot. Bonds

About 4-methylimidazole

4-methylimidazole (PubChem CID 154517141) has the molecular formula C4H4N2 and a molecular weight of 80.09 g/mol. Its IUPAC name is 4-methylimidazole.

Molecular Properties

Compound Name4-methylimidazole
PubChem CID154517141
Molecular FormulaC4H4N2
Molecular Weight80.09 g/mol
Exact Mass80.04
IUPAC Name4-methylimidazole
SMILESCC1=CN=C=N1
InChIInChI=1S/C4H4N2/c1-4-2-5-3-6-4/h2H,1H3
InChIKeyOTNISIPZZZMHJX-UHFFFAOYSA-N
XLogP1.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylimidazole?
The IUPAC name of 4-methylimidazole (CID 154517141) is 4-methylimidazole.
What is the SMILES notation for 4-methylimidazole?
The canonical SMILES for 4-methylimidazole is CC1=CN=C=N1.
What is the InChIKey of 4-methylimidazole?
The InChIKey is OTNISIPZZZMHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2/c1-4-2-5-3-6-4/h2H,1H3.
What are the key properties of 4-methylimidazole?
4-methylimidazole has a molecular weight of 80.09 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 4-methylimidazole is sourced from PubChem (CID 154517141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).