1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide

C5H12N2O — CID 70468836

IUPAC1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide
SMILESC[N+]1(C)C=NCC1.[OH-]
InChIInChI=1S/C5H11N2.H2O/c1-7(2)4-3-6-5-7;/h5H,3-4H2,1-2H3;1H2/q+1;/p-1
InChIKeyBVQGNPGPAAWQQY-UHFFFAOYSA-M
MW116.16 g/mol
LogP-0.07
Rot. Bonds

About 1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide

1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide (PubChem CID 70468836) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide.

Molecular Properties

Compound Name1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide
PubChem CID70468836
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide
SMILESC[N+]1(C)C=NCC1.[OH-]
InChIInChI=1S/C5H11N2.H2O/c1-7(2)4-3-6-5-7;/h5H,3-4H2,1-2H3;1H2/q+1;/p-1
InChIKeyBVQGNPGPAAWQQY-UHFFFAOYSA-M
XLogP-0.07
TPSA42.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide?
The IUPAC name of 1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide (CID 70468836) is 1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide.
What is the SMILES notation for 1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide?
The canonical SMILES for 1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide is C[N+]1(C)C=NCC1.[OH-].
What is the InChIKey of 1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide?
The InChIKey is BVQGNPGPAAWQQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11N2.H2O/c1-7(2)4-3-6-5-7;/h5H,3-4H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of 1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide?
1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide has a molecular weight of 116.16 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4,5-dihydroimidazol-1-ium hydroxide is sourced from PubChem (CID 70468836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).