1,3-bis(ethenyl)-2H-imidazole;hydrochloride

C7H11ClN2 — CID 175397950

IUPAC1,3-bis(ethenyl)-2H-imidazole;hydrochloride
SMILESC=CN1C=CN(C=C)C1.Cl
InChIInChI=1S/C7H10N2.ClH/c1-3-8-5-6-9(4-2)7-8;/h3-6H,1-2,7H2;1H
InChIKeyUSKAAYBUANNXFT-UHFFFAOYSA-N
MW158.63 g/mol
LogP1.74
Rot. Bonds2

About 1,3-bis(ethenyl)-2H-imidazole;hydrochloride

1,3-bis(ethenyl)-2H-imidazole;hydrochloride (PubChem CID 175397950) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 1,3-bis(ethenyl)-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name1,3-bis(ethenyl)-2H-imidazole;hydrochloride
PubChem CID175397950
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name1,3-bis(ethenyl)-2H-imidazole;hydrochloride
SMILESC=CN1C=CN(C=C)C1.Cl
InChIInChI=1S/C7H10N2.ClH/c1-3-8-5-6-9(4-2)7-8;/h3-6H,1-2,7H2;1H
InChIKeyUSKAAYBUANNXFT-UHFFFAOYSA-N
XLogP1.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)-2H-imidazole;hydrochloride?
The IUPAC name of 1,3-bis(ethenyl)-2H-imidazole;hydrochloride (CID 175397950) is 1,3-bis(ethenyl)-2H-imidazole;hydrochloride.
What is the SMILES notation for 1,3-bis(ethenyl)-2H-imidazole;hydrochloride?
The canonical SMILES for 1,3-bis(ethenyl)-2H-imidazole;hydrochloride is C=CN1C=CN(C=C)C1.Cl.
What is the InChIKey of 1,3-bis(ethenyl)-2H-imidazole;hydrochloride?
The InChIKey is USKAAYBUANNXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.ClH/c1-3-8-5-6-9(4-2)7-8;/h3-6H,1-2,7H2;1H.
What are the key properties of 1,3-bis(ethenyl)-2H-imidazole;hydrochloride?
1,3-bis(ethenyl)-2H-imidazole;hydrochloride has a molecular weight of 158.63 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)-2H-imidazole;hydrochloride is sourced from PubChem (CID 175397950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).