5-bromo-2-ethyl-1H-imidazole

C5H7BrN2 — CID 11819534

IUPAC5-bromo-2-ethyl-1H-imidazole
SMILESCCc1ncc(Br)[nH]1
InChIInChI=1S/C5H7BrN2/c1-2-5-7-3-4(6)8-5/h3H,2H2,1H3,(H,7,8)
InChIKeyABGRZMXSFGWOOF-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.73
Rot. Bonds1

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

5-bromo-2-ethyl-1H-imidazole (PubChem CID 11819534) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 5-bromo-2-ethyl-1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-ethyl-1H-imidazole
PubChem CID11819534
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name5-bromo-2-ethyl-1H-imidazole
SMILESCCc1ncc(Br)[nH]1
InChIInChI=1S/C5H7BrN2/c1-2-5-7-3-4(6)8-5/h3H,2H2,1H3,(H,7,8)
InChIKeyABGRZMXSFGWOOF-UHFFFAOYSA-N
XLogP1.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylimidazole
CID 12749
1H-Imidazole, 4-bromo-
CID 96125
2-Ethylimidazole
CID 66130
1H-Imidazole, 2-(1-methylethyl)-
CID 123457
2-Propylimidazole
CID 162617
4-Bromo-2-methyl-1H-imidazole
CID 2773267
2-butyl-1H-imidazole
CID 11815351
2-(2-Methylpropyl)-1H-imidazole
CID 109093
2-tert-butyl-1H-imidazole
CID 498442
2-aminomethyl-1H-imidazole
CID 1382041
((1H-imidazol-2-yl)methyl)dimethylamine
CID 11457689
2-(1H-imidazol-2-yl)acetonitrile
CID 14207546

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-1H-imidazole?
The IUPAC name of 5-bromo-2-ethyl-1H-imidazole (CID 11819534) is 5-bromo-2-ethyl-1H-imidazole.
What is the SMILES notation for 5-bromo-2-ethyl-1H-imidazole?
The canonical SMILES for 5-bromo-2-ethyl-1H-imidazole is CCc1ncc(Br)[nH]1.
What is the InChIKey of 5-bromo-2-ethyl-1H-imidazole?
The InChIKey is ABGRZMXSFGWOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-2-5-7-3-4(6)8-5/h3H,2H2,1H3,(H,7,8).
What are the key properties of 5-bromo-2-ethyl-1H-imidazole?
5-bromo-2-ethyl-1H-imidazole has a molecular weight of 175.03 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-1H-imidazole is sourced from PubChem (CID 11819534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).