1-propan-2-yl-1H-imidazol-1-ium

C6H11N2+ — CID 22597213

IUPAC1-propan-2-yl-1H-imidazol-1-ium
SMILESCC(C)[NH+]1C=CN=C1
InChIInChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3/p+1
InChIKeyIPIORGCOGQZEHO-UHFFFAOYSA-O
MW111.17 g/mol
LogP-0.21
Rot. Bonds1

About 1-propan-2-yl-1H-imidazol-1-ium

1-propan-2-yl-1H-imidazol-1-ium (PubChem CID 22597213) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is 1-propan-2-yl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-propan-2-yl-1H-imidazol-1-ium
PubChem CID22597213
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name1-propan-2-yl-1H-imidazol-1-ium
SMILESCC(C)[NH+]1C=CN=C1
InChIInChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3/p+1
InChIKeyIPIORGCOGQZEHO-UHFFFAOYSA-O
XLogP-0.21
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethylimidazolium bromide
CID 66724526
1-Ethylimidazolium chloride
CID 19979778
1-methyl-1H-imidazol-1-ium
CID 59438645
1-butyl-1H-imidazol-1-ium chloride
CID 66672281
1-butyl-1H-imidazol-1-ium bromide
CID 66978243
1-tert-butyl-1H-imidazol-1-ium
CID 17835947
3-ethenyl-4,5-dihydro-1H-imidazol-3-ium
CID 18541991
1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
CID 18945014
1-Methyl-1-propan-2-ylimidazol-1-ium
CID 19067541
1-propyl-1H-imidazol-1-ium chloride
CID 19765953
1-butyl-1H-imidazol-1-ium iodide
CID 21977611
3-methyl-1-propyl-1H-imidazole-1,3-diium
CID 22088709

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1H-imidazol-1-ium?
The IUPAC name of 1-propan-2-yl-1H-imidazol-1-ium (CID 22597213) is 1-propan-2-yl-1H-imidazol-1-ium.
What is the SMILES notation for 1-propan-2-yl-1H-imidazol-1-ium?
The canonical SMILES for 1-propan-2-yl-1H-imidazol-1-ium is CC(C)[NH+]1C=CN=C1.
What is the InChIKey of 1-propan-2-yl-1H-imidazol-1-ium?
The InChIKey is IPIORGCOGQZEHO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3/p+1.
What are the key properties of 1-propan-2-yl-1H-imidazol-1-ium?
1-propan-2-yl-1H-imidazol-1-ium has a molecular weight of 111.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1H-imidazol-1-ium is sourced from PubChem (CID 22597213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).