3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide

C7H15Br2N3 — CID 174939512

IUPAC3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide
SMILESBr.Br.C=CN1C=CN(NCC)C1
InChIInChI=1S/C7H13N3.2BrH/c1-3-8-10-6-5-9(4-2)7-10;;/h4-6,8H,2-3,7H2,1H3;2*1H
InChIKeyWAZXNIQBQOYLBV-UHFFFAOYSA-N
MW301.03 g/mol
LogP1.86
Rot. Bonds3

About 3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide

3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide (PubChem CID 174939512) has the molecular formula C7H15Br2N3 and a molecular weight of 301.03 g/mol. Its IUPAC name is 3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide.

Molecular Properties

Compound Name3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide
PubChem CID174939512
Molecular FormulaC7H15Br2N3
Molecular Weight301.03 g/mol
Exact Mass298.96
IUPAC Name3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide
SMILESBr.Br.C=CN1C=CN(NCC)C1
InChIInChI=1S/C7H13N3.2BrH/c1-3-8-10-6-5-9(4-2)7-10;;/h4-6,8H,2-3,7H2,1H3;2*1H
InChIKeyWAZXNIQBQOYLBV-UHFFFAOYSA-N
XLogP1.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.03
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethenyl-3-ethyl-2H-imidazole;hydrobromide
CID 172862570
1,3-bis(ethenyl)-2H-imidazole;hydrochloride
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1-ethenyl-3-ethyl-2H-imidazole;hydroiodide
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1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride
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1-ethenyl-3-pentyl-2H-imidazole
CID 69347119
1-ethenyl-3-prop-1-enyl-2H-imidazole
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1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162277531
2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide
CID 175320874
2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine
CID 174979054
1-butyl-3-ethenyl-2H-imidazole;prop-2-enamide;hydrobromide
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1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide
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lithium;1-(3-ethenyl-2H-imidazol-1-yl)propane-1-sulfonic acid;bromide
CID 175247216

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide?
The IUPAC name of 3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide (CID 174939512) is 3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide.
What is the SMILES notation for 3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide?
The canonical SMILES for 3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide is Br.Br.C=CN1C=CN(NCC)C1.
What is the InChIKey of 3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide?
The InChIKey is WAZXNIQBQOYLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.2BrH/c1-3-8-10-6-5-9(4-2)7-10;;/h4-6,8H,2-3,7H2,1H3;2*1H.
What are the key properties of 3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide?
3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide has a molecular weight of 301.03 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide is sourced from PubChem (CID 174939512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).