4-(1-bromoethenyl)-5-ethenyl-1H-imidazole

C7H7BrN2 — CID 163252590

IUPAC4-(1-bromoethenyl)-5-ethenyl-1H-imidazole
SMILESC=Cc1[nH]cnc1C(=C)Br
InChIInChI=1S/C7H7BrN2/c1-3-6-7(5(2)8)10-4-9-6/h3-4H,1-2H2,(H,9,10)
InChIKeyRYTYYDWQOMCSAT-UHFFFAOYSA-N
MW199.05 g/mol
LogP2.42
Rot. Bonds2

About 4-(1-bromoethenyl)-5-ethenyl-1H-imidazole

4-(1-bromoethenyl)-5-ethenyl-1H-imidazole (PubChem CID 163252590) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 4-(1-bromoethenyl)-5-ethenyl-1H-imidazole.

Molecular Properties

Compound Name4-(1-bromoethenyl)-5-ethenyl-1H-imidazole
PubChem CID163252590
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name4-(1-bromoethenyl)-5-ethenyl-1H-imidazole
SMILESC=Cc1[nH]cnc1C(=C)Br
InChIInChI=1S/C7H7BrN2/c1-3-6-7(5(2)8)10-4-9-6/h3-4H,1-2H2,(H,9,10)
InChIKeyRYTYYDWQOMCSAT-UHFFFAOYSA-N
XLogP2.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethenyl)-5-ethenyl-1H-imidazole?
The IUPAC name of 4-(1-bromoethenyl)-5-ethenyl-1H-imidazole (CID 163252590) is 4-(1-bromoethenyl)-5-ethenyl-1H-imidazole.
What is the SMILES notation for 4-(1-bromoethenyl)-5-ethenyl-1H-imidazole?
The canonical SMILES for 4-(1-bromoethenyl)-5-ethenyl-1H-imidazole is C=Cc1[nH]cnc1C(=C)Br.
What is the InChIKey of 4-(1-bromoethenyl)-5-ethenyl-1H-imidazole?
The InChIKey is RYTYYDWQOMCSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c1-3-6-7(5(2)8)10-4-9-6/h3-4H,1-2H2,(H,9,10).
What are the key properties of 4-(1-bromoethenyl)-5-ethenyl-1H-imidazole?
4-(1-bromoethenyl)-5-ethenyl-1H-imidazole has a molecular weight of 199.05 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethenyl)-5-ethenyl-1H-imidazole is sourced from PubChem (CID 163252590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).