1-ethenyl-3-ethyl-2H-imidazole;hydrobromide

C7H13BrN2 — CID 172862570

IUPAC1-ethenyl-3-ethyl-2H-imidazole;hydrobromide
SMILESBr.C=CN1C=CN(CC)C1
InChIInChI=1S/C7H12N2.BrH/c1-3-8-5-6-9(4-2)7-8;/h3,5-6H,1,4,7H2,2H3;1H
InChIKeyJVRWQHCUISDRGA-UHFFFAOYSA-N
MW205.10 g/mol
LogP1.77
Rot. Bonds2

About 1-ethenyl-3-ethyl-2H-imidazole;hydrobromide

1-ethenyl-3-ethyl-2H-imidazole;hydrobromide (PubChem CID 172862570) has the molecular formula C7H13BrN2 and a molecular weight of 205.10 g/mol. Its IUPAC name is 1-ethenyl-3-ethyl-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-ethenyl-3-ethyl-2H-imidazole;hydrobromide
PubChem CID172862570
Molecular FormulaC7H13BrN2
Molecular Weight205.10 g/mol
Exact Mass204.03
IUPAC Name1-ethenyl-3-ethyl-2H-imidazole;hydrobromide
SMILESBr.C=CN1C=CN(CC)C1
InChIInChI=1S/C7H12N2.BrH/c1-3-8-5-6-9(4-2)7-8;/h3,5-6H,1,4,7H2,2H3;1H
InChIKeyJVRWQHCUISDRGA-UHFFFAOYSA-N
XLogP1.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide
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1,3-bis(ethenyl)-2H-imidazole;hydrochloride
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1-benzyl-3-ethenyl-2H-imidazole;hydrobromide
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1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethyl-2H-imidazole;hydrobromide?
The IUPAC name of 1-ethenyl-3-ethyl-2H-imidazole;hydrobromide (CID 172862570) is 1-ethenyl-3-ethyl-2H-imidazole;hydrobromide.
What is the SMILES notation for 1-ethenyl-3-ethyl-2H-imidazole;hydrobromide?
The canonical SMILES for 1-ethenyl-3-ethyl-2H-imidazole;hydrobromide is Br.C=CN1C=CN(CC)C1.
What is the InChIKey of 1-ethenyl-3-ethyl-2H-imidazole;hydrobromide?
The InChIKey is JVRWQHCUISDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.BrH/c1-3-8-5-6-9(4-2)7-8;/h3,5-6H,1,4,7H2,2H3;1H.
What are the key properties of 1-ethenyl-3-ethyl-2H-imidazole;hydrobromide?
1-ethenyl-3-ethyl-2H-imidazole;hydrobromide has a molecular weight of 205.10 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethyl-2H-imidazole;hydrobromide is sourced from PubChem (CID 172862570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).