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

C6H11BrN2 — CID 70487448

IUPAC1-propan-2-yl-1H-imidazol-1-ium bromide
SMILESCC(C)[NH+]1C=CN=C1.[Br-]
InChIInChI=1S/C6H10N2.BrH/c1-6(2)8-4-3-7-5-8;/h3-6H,1-2H3;1H
InChIKeyTVZFIYVKCRAPKF-UHFFFAOYSA-N
MW191.07 g/mol
LogP-3.20
Rot. Bonds1

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

1-propan-2-yl-1H-imidazol-1-ium bromide (PubChem CID 70487448) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 1-propan-2-yl-1H-imidazol-1-ium bromide.

Molecular Properties

Compound Name1-propan-2-yl-1H-imidazol-1-ium bromide
PubChem CID70487448
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name1-propan-2-yl-1H-imidazol-1-ium bromide
SMILESCC(C)[NH+]1C=CN=C1.[Br-]
InChIInChI=1S/C6H10N2.BrH/c1-6(2)8-4-3-7-5-8;/h3-6H,1-2H3;1H
InChIKeyTVZFIYVKCRAPKF-UHFFFAOYSA-N
XLogP-3.20
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 5-3.20
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-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
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
1-propan-2-yl-1H-imidazol-1-ium
CID 22597213
1,3-dimethyl-1H-imidazole-1,3-diium
CID 22947747

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1H-imidazol-1-ium bromide?
The IUPAC name of 1-propan-2-yl-1H-imidazol-1-ium bromide (CID 70487448) is 1-propan-2-yl-1H-imidazol-1-ium bromide.
What is the SMILES notation for 1-propan-2-yl-1H-imidazol-1-ium bromide?
The canonical SMILES for 1-propan-2-yl-1H-imidazol-1-ium bromide is CC(C)[NH+]1C=CN=C1.[Br-].
What is the InChIKey of 1-propan-2-yl-1H-imidazol-1-ium bromide?
The InChIKey is TVZFIYVKCRAPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.BrH/c1-6(2)8-4-3-7-5-8;/h3-6H,1-2H3;1H.
What are the key properties of 1-propan-2-yl-1H-imidazol-1-ium bromide?
1-propan-2-yl-1H-imidazol-1-ium bromide has a molecular weight of 191.07 g/mol, XLogP of -3.20, 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 bromide is sourced from PubChem (CID 70487448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).