1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride

C6H9Cl2N2- — CID 22359604

IUPAC1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride
SMILESC=C(C)[NH+]1C=CN=C1.[Cl-].[Cl-]
InChIInChI=1S/C6H8N2.2ClH/c1-6(2)8-4-3-7-5-8;;/h3-5H,1H2,2H3;2*1H/p-1
InChIKeyQJWFKETXISBLSI-UHFFFAOYSA-M
MW180.06 g/mol
LogP-6.07
Rot. Bonds1

About 1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride

1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride (PubChem CID 22359604) has the molecular formula C6H9Cl2N2- and a molecular weight of 180.06 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride.

Molecular Properties

Compound Name1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride
PubChem CID22359604
Molecular FormulaC6H9Cl2N2-
Molecular Weight180.06 g/mol
Exact Mass179.01
IUPAC Name1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride
SMILESC=C(C)[NH+]1C=CN=C1.[Cl-].[Cl-]
InChIInChI=1S/C6H8N2.2ClH/c1-6(2)8-4-3-7-5-8;;/h3-5H,1H2,2H3;2*1H/p-1
InChIKeyQJWFKETXISBLSI-UHFFFAOYSA-M
XLogP-6.07
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.06
LogP ≤ 5-6.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethylimidazolium chloride
CID 19979778
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CID 11309913
1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
CID 18945014
1-propyl-1H-imidazol-1-ium chloride
CID 19765953
1-methanidyl-4-methyl-1H-imidazol-1-ium
CID 21353566
1-propan-2-yl-1H-imidazol-1-ium
CID 22597213
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
1,4-dimethyl-1H-imidazol-1-ium
CID 59889377
1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-)
CID 69035349
1-prop-1-enyl-1H-imidazol-1-ium chloride
CID 86617951

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride?
The IUPAC name of 1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride (CID 22359604) is 1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride.
What is the SMILES notation for 1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride?
The canonical SMILES for 1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride is C=C(C)[NH+]1C=CN=C1.[Cl-].[Cl-].
What is the InChIKey of 1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride?
The InChIKey is QJWFKETXISBLSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2.2ClH/c1-6(2)8-4-3-7-5-8;;/h3-5H,1H2,2H3;2*1H/p-1.
What are the key properties of 1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride?
1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride has a molecular weight of 180.06 g/mol, XLogP of -6.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-1H-imidazol-1-ium dichloride is sourced from PubChem (CID 22359604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).