1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride

C9H17ClN2 — CID 175397931

IUPAC1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride
SMILESC=CN1C=CN(C(C)CC)C1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-4-9(3)11-7-6-10(5-2)8-11;/h5-7,9H,2,4,8H2,1,3H3;1H
InChIKeyWCBPOUKDSXGOFX-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.40
Rot. Bonds3

About 1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride

1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride (PubChem CID 175397931) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride
PubChem CID175397931
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride
SMILESC=CN1C=CN(C(C)CC)C1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-4-9(3)11-7-6-10(5-2)8-11;/h5-7,9H,2,4,8H2,1,3H3;1H
InChIKeyWCBPOUKDSXGOFX-UHFFFAOYSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride?
The IUPAC name of 1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride (CID 175397931) is 1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride.
What is the SMILES notation for 1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride?
The canonical SMILES for 1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride is C=CN1C=CN(C(C)CC)C1.Cl.
What is the InChIKey of 1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride?
The InChIKey is WCBPOUKDSXGOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.ClH/c1-4-9(3)11-7-6-10(5-2)8-11;/h5-7,9H,2,4,8H2,1,3H3;1H.
What are the key properties of 1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride?
1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride has a molecular weight of 188.70 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride is sourced from PubChem (CID 175397931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).