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

C4H5BrN2 — CID 7204878

IUPAC2-bromo-5-methyl-1H-imidazole
SMILESCc1cnc(Br)[nH]1
InChIInChI=1S/C4H5BrN2/c1-3-2-6-4(5)7-3/h2H,1H3,(H,6,7)
InChIKeyAYQISCMXBQVMSY-UHFFFAOYSA-N
MW161.00 g/mol
LogP1.48
Rot. Bonds

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

2-bromo-5-methyl-1H-imidazole (PubChem CID 7204878) has the molecular formula C4H5BrN2 and a molecular weight of 161.00 g/mol. Its IUPAC name is 2-bromo-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-bromo-5-methyl-1H-imidazole
PubChem CID7204878
Molecular FormulaC4H5BrN2
Molecular Weight161.00 g/mol
Exact Mass159.96
IUPAC Name2-bromo-5-methyl-1H-imidazole
SMILESCc1cnc(Br)[nH]1
InChIInChI=1S/C4H5BrN2/c1-3-2-6-4(5)7-3/h2H,1H3,(H,6,7)
InChIKeyAYQISCMXBQVMSY-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-1H-imidazole?
The IUPAC name of 2-bromo-5-methyl-1H-imidazole (CID 7204878) is 2-bromo-5-methyl-1H-imidazole.
What is the SMILES notation for 2-bromo-5-methyl-1H-imidazole?
The canonical SMILES for 2-bromo-5-methyl-1H-imidazole is Cc1cnc(Br)[nH]1.
What is the InChIKey of 2-bromo-5-methyl-1H-imidazole?
The InChIKey is AYQISCMXBQVMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2/c1-3-2-6-4(5)7-3/h2H,1H3,(H,6,7).
What are the key properties of 2-bromo-5-methyl-1H-imidazole?
2-bromo-5-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 2-bromo-5-methyl-1H-imidazole is sourced from PubChem (CID 7204878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).