1-methylimidazole

C4H6N2 — CID 1390

IUPAC1-methylimidazole
SMILESCn1ccnc1
InChIInChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
InChIKeyMCTWTZJPVLRJOU-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.42
Rot. Bonds

About 1-methylimidazole

1-methylimidazole (PubChem CID 1390) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 1-methylimidazole.

Molecular Properties

Compound Name1-methylimidazole
PubChem CID1390
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name1-methylimidazole
SMILESCn1ccnc1
InChIInChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
InChIKeyMCTWTZJPVLRJOU-UHFFFAOYSA-N
XLogP0.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole?
The IUPAC name of 1-methylimidazole (CID 1390) is 1-methylimidazole.
What is the SMILES notation for 1-methylimidazole?
The canonical SMILES for 1-methylimidazole is Cn1ccnc1.
What is the InChIKey of 1-methylimidazole?
The InChIKey is MCTWTZJPVLRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3.
What are the key properties of 1-methylimidazole?
1-methylimidazole has a molecular weight of 82.11 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole is sourced from PubChem (CID 1390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).