4-bromo-1,2,5-trimethylimidazole

C6H9BrN2 — CID 30032997

IUPAC4-bromo-1,2,5-trimethylimidazole
SMILESCc1nc(Br)c(C)n1C
InChIInChI=1S/C6H9BrN2/c1-4-6(7)8-5(2)9(4)3/h1-3H3
InChIKeyCKKMAWNEIWLYMM-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.80
Rot. Bonds

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

4-bromo-1,2,5-trimethylimidazole (PubChem CID 30032997) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 4-bromo-1,2,5-trimethylimidazole.

Molecular Properties

Compound Name4-bromo-1,2,5-trimethylimidazole
PubChem CID30032997
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name4-bromo-1,2,5-trimethylimidazole
SMILESCc1nc(Br)c(C)n1C
InChIInChI=1S/C6H9BrN2/c1-4-6(7)8-5(2)9(4)3/h1-3H3
InChIKeyCKKMAWNEIWLYMM-UHFFFAOYSA-N
XLogP1.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
4-Bromo-1,5-dimethyl-1H-imidazole
CID 15639182
5-bromo-1-methyl-1H-imidazole-4-carbonitrile
CID 84049009
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
3-Bromo-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 23084290
5-bromo-1,4-dimethyl-1H-imidazole
CID 58641831
2-bromo-1,4,5-trimethyl-1H-imidazole
CID 74890576
4-bromo-2-ethyl-5-methyl-1H-imidazole
CID 83636653
3-bromo-2-methyl-5H,6H,7H-pyrrolo[1,2-a]imidazole
CID 83681528
5-(bromomethyl)-1,4-dimethyl-1H-imidazole hydrobromide
CID 146082445
4-bromo-2-iodo-1,5-dimethyl-1H-imidazole
CID 165762174
1-(4-bromo-1,2-dimethyl-1H-imidazol-5-yl)methanamine dihydrochloride
CID 177799247

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2,5-trimethylimidazole?
The IUPAC name of 4-bromo-1,2,5-trimethylimidazole (CID 30032997) is 4-bromo-1,2,5-trimethylimidazole.
What is the SMILES notation for 4-bromo-1,2,5-trimethylimidazole?
The canonical SMILES for 4-bromo-1,2,5-trimethylimidazole is Cc1nc(Br)c(C)n1C.
What is the InChIKey of 4-bromo-1,2,5-trimethylimidazole?
The InChIKey is CKKMAWNEIWLYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-4-6(7)8-5(2)9(4)3/h1-3H3.
What are the key properties of 4-bromo-1,2,5-trimethylimidazole?
4-bromo-1,2,5-trimethylimidazole has a molecular weight of 189.06 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,2,5-trimethylimidazole is sourced from PubChem (CID 30032997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).