5-bromo-2-methyl-1H-imidazole

C4H5BrN2 — CID 2773267

IUPAC5-bromo-2-methyl-1H-imidazole
SMILESCc1ncc(Br)[nH]1
InChIInChI=1S/C4H5BrN2/c1-3-6-2-4(5)7-3/h2H,1H3,(H,6,7)
InChIKeyAPLZLUYWLINBOZ-UHFFFAOYSA-N
MW161.00 g/mol
LogP1.48
Rot. Bonds

About 5-bromo-2-methyl-1H-imidazole

5-bromo-2-methyl-1H-imidazole (PubChem CID 2773267) has the molecular formula C4H5BrN2 and a molecular weight of 161.00 g/mol. Its IUPAC name is 5-bromo-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-methyl-1H-imidazole
PubChem CID2773267
Molecular FormulaC4H5BrN2
Molecular Weight161.00 g/mol
Exact Mass159.96
IUPAC Name5-bromo-2-methyl-1H-imidazole
SMILESCc1ncc(Br)[nH]1
InChIInChI=1S/C4H5BrN2/c1-3-6-2-4(5)7-3/h2H,1H3,(H,6,7)
InChIKeyAPLZLUYWLINBOZ-UHFFFAOYSA-N
XLogP1.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.00
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Imidazole
CID 795
2-Methylimidazole
CID 12749
1H-Imidazole, 4-bromo-
CID 96125
2-Ethylimidazole
CID 66130
2-Aminoimidazole
CID 82140
2-Bromo-1H-imidazole
CID 2773261
1H-Imidazole, 2-(1-methylethyl)-
CID 123457
2-Propylimidazole
CID 162617
1H-imidazole-2-carbonitrile
CID 564456
4-Aminoimidazole
CID 484
2-(trifluoromethyl)-1H-imidazole
CID 585838
Imidazole-d4
CID 11701027

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1H-imidazole?
The IUPAC name of 5-bromo-2-methyl-1H-imidazole (CID 2773267) is 5-bromo-2-methyl-1H-imidazole.
What is the SMILES notation for 5-bromo-2-methyl-1H-imidazole?
The canonical SMILES for 5-bromo-2-methyl-1H-imidazole is Cc1ncc(Br)[nH]1.
What is the InChIKey of 5-bromo-2-methyl-1H-imidazole?
The InChIKey is APLZLUYWLINBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2/c1-3-6-2-4(5)7-3/h2H,1H3,(H,6,7).
What are the key properties of 5-bromo-2-methyl-1H-imidazole?
5-bromo-2-methyl-1H-imidazole has a molecular weight of 161.00 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1H-imidazole is sourced from PubChem (CID 2773267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).