5-chloro-1,2,4-trimethylimidazole

C6H9ClN2 — CID 58099712

IUPAC5-chloro-1,2,4-trimethylimidazole
SMILESCc1nc(C)n(C)c1Cl
InChIInChI=1S/C6H9ClN2/c1-4-6(7)9(3)5(2)8-4/h1-3H3
InChIKeyLZMRWTXEPSHZTP-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.69
Rot. Bonds

About 5-chloro-1,2,4-trimethylimidazole

5-chloro-1,2,4-trimethylimidazole (PubChem CID 58099712) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 5-chloro-1,2,4-trimethylimidazole.

Molecular Properties

Compound Name5-chloro-1,2,4-trimethylimidazole
PubChem CID58099712
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name5-chloro-1,2,4-trimethylimidazole
SMILESCc1nc(C)n(C)c1Cl
InChIInChI=1S/C6H9ClN2/c1-4-6(7)9(3)5(2)8-4/h1-3H3
InChIKeyLZMRWTXEPSHZTP-UHFFFAOYSA-N
XLogP1.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2,4-trimethylimidazole?
The IUPAC name of 5-chloro-1,2,4-trimethylimidazole (CID 58099712) is 5-chloro-1,2,4-trimethylimidazole.
What is the SMILES notation for 5-chloro-1,2,4-trimethylimidazole?
The canonical SMILES for 5-chloro-1,2,4-trimethylimidazole is Cc1nc(C)n(C)c1Cl.
What is the InChIKey of 5-chloro-1,2,4-trimethylimidazole?
The InChIKey is LZMRWTXEPSHZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-4-6(7)9(3)5(2)8-4/h1-3H3.
What are the key properties of 5-chloro-1,2,4-trimethylimidazole?
5-chloro-1,2,4-trimethylimidazole has a molecular weight of 144.60 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,4-trimethylimidazole is sourced from PubChem (CID 58099712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).