1-methyl-2-propyl-1H-imidazol-1-ium hydroxide

C7H14N2O — CID 158695288

IUPAC1-methyl-2-propyl-1H-imidazol-1-ium hydroxide
SMILESCCCC1=NC=C[NH+]1C.[OH-]
InChIInChI=1S/C7H12N2.H2O/c1-3-4-7-8-5-6-9(7)2;/h5-6H,3-4H2,1-2H3;1H2
InChIKeyIGWAKVHWQWDGRT-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.01
Rot. Bonds2

About 1-methyl-2-propyl-1H-imidazol-1-ium hydroxide

1-methyl-2-propyl-1H-imidazol-1-ium hydroxide (PubChem CID 158695288) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-methyl-2-propyl-1H-imidazol-1-ium hydroxide.

Molecular Properties

Compound Name1-methyl-2-propyl-1H-imidazol-1-ium hydroxide
PubChem CID158695288
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-methyl-2-propyl-1H-imidazol-1-ium hydroxide
SMILESCCCC1=NC=C[NH+]1C.[OH-]
InChIInChI=1S/C7H12N2.H2O/c1-3-4-7-8-5-6-9(7)2;/h5-6H,3-4H2,1-2H3;1H2
InChIKeyIGWAKVHWQWDGRT-UHFFFAOYSA-N
XLogP0.01
TPSA46.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-1H-imidazol-1-ium
CID 20276869
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
1-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 66619869
2-butyl-1-methyl-1H-imidazol-1-ium chloride
CID 66620565
2-butyl-1-methyl-1H-imidazol-1-ium bromide
CID 66620666
2-ethyl-1-methyl-1H-imidazol-1-ium bromide
CID 66639976
2-butyl-1-methyl-1H-imidazol-1-ium iodide
CID 66714320
2-ethyl-1-methyl-1H-imidazol-1-ium chloride
CID 66778723
2-methyl-1-propyl-1H-imidazol-1-ium iodide
CID 66825902
3-(1-methyl-1H-imidazol-1-ium-2-yl)propan-1-amine bromide
CID 66882482

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propyl-1H-imidazol-1-ium hydroxide?
The IUPAC name of 1-methyl-2-propyl-1H-imidazol-1-ium hydroxide (CID 158695288) is 1-methyl-2-propyl-1H-imidazol-1-ium hydroxide.
What is the SMILES notation for 1-methyl-2-propyl-1H-imidazol-1-ium hydroxide?
The canonical SMILES for 1-methyl-2-propyl-1H-imidazol-1-ium hydroxide is CCCC1=NC=C[NH+]1C.[OH-].
What is the InChIKey of 1-methyl-2-propyl-1H-imidazol-1-ium hydroxide?
The InChIKey is IGWAKVHWQWDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.H2O/c1-3-4-7-8-5-6-9(7)2;/h5-6H,3-4H2,1-2H3;1H2.
What are the key properties of 1-methyl-2-propyl-1H-imidazol-1-ium hydroxide?
1-methyl-2-propyl-1H-imidazol-1-ium hydroxide has a molecular weight of 142.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propyl-1H-imidazol-1-ium hydroxide is sourced from PubChem (CID 158695288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).