1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate

C9H12N2O — CID 58738750

IUPAC1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate
SMILESCC1C([O-])[n+]2ccccc2N1C
InChIInChI=1S/C9H12N2O/c1-7-9(12)11-6-4-3-5-8(11)10(7)2/h3-7,9H,1-2H3
InChIKeyGOMFMRGYNIGMAX-UHFFFAOYSA-N
MW164.21 g/mol
LogP-0.33
Rot. Bonds

About 1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate

1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate (PubChem CID 58738750) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate.

Molecular Properties

Compound Name1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate
PubChem CID58738750
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate
SMILESCC1C([O-])[n+]2ccccc2N1C
InChIInChI=1S/C9H12N2O/c1-7-9(12)11-6-4-3-5-8(11)10(7)2/h3-7,9H,1-2H3
InChIKeyGOMFMRGYNIGMAX-UHFFFAOYSA-N
XLogP-0.33
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
CID 58240315
(2R)-1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole
CID 58240298
1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium
CID 76712040
1-(1-tert-butylpyridin-1-ium-2-yl)azepine
CID 155615491
2-(1-butylpiperidin-4-yl)-1-oxidopyridin-1-ium
CID 59974757
2-cyclobutyl-1-oxidopyridin-1-ium
CID 134861229
2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
CID 58240330
(2S)-1-[6-[(2R)-2,3-dimethyl-2H-benzimidazol-1-yl]-1-methylpyridin-1-ium-2-yl]-2,3-dimethyl-2H-benzimidazole
CID 123501271
ethane;(2S)-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-2H-pyrimidine
CID 91389448
(6R)-1,2,6-trimethyl-3-phenylpiperidine
CID 163219493
2-cyclooctyl-1-oxidopyridin-1-ium
CID 134861148
1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline
CID 174367478

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate?
The IUPAC name of 1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate (CID 58738750) is 1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate.
What is the SMILES notation for 1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate?
The canonical SMILES for 1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate is CC1C([O-])[n+]2ccccc2N1C.
What is the InChIKey of 1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate?
The InChIKey is GOMFMRGYNIGMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-9(12)11-6-4-3-5-8(11)10(7)2/h3-7,9H,1-2H3.
What are the key properties of 1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate?
1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate has a molecular weight of 164.21 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate is sourced from PubChem (CID 58738750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).