5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane

C22H28N6O4 — CID 158333850

IUPAC5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane
SMILESC.Cc1ncc(CO)c(-c2ncc[nH]2)c1O.Cc1ncc(CO)c(-c2nccn2C)c1O
InChIInChI=1S/C11H13N3O2.C10H11N3O2.CH4/c1-7-10(16)9(8(6-15)5-13-7)11-12-3-4-14(11)2;1-6-9(15)8(7(5-14)4-13-6)10-11-2-3-12-10;/h3-5,15-16H,6H2,1-2H3;2-4,14-15H,5H2,1H3,(H,11,12);1H4
InChIKeyGQIMSZMWQXVACP-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.60
Rot. Bonds4

About 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane

5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane (PubChem CID 158333850) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane
PubChem CID158333850
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Name5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane
SMILESC.Cc1ncc(CO)c(-c2ncc[nH]2)c1O.Cc1ncc(CO)c(-c2nccn2C)c1O
InChIInChI=1S/C11H13N3O2.C10H11N3O2.CH4/c1-7-10(16)9(8(6-15)5-13-7)11-12-3-4-14(11)2;1-6-9(15)8(7(5-14)4-13-6)10-11-2-3-12-10;/h3-5,15-16H,6H2,1-2H3;2-4,14-15H,5H2,1H3,(H,11,12);1H4
InChIKeyGQIMSZMWQXVACP-UHFFFAOYSA-N
XLogP2.60
TPSA153.20 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol
CID 116686398
4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol
CID 142015833
2-(1H-imidazol-2-yl)-6-(1-methylimidazol-2-yl)pyridine
CID 70653614
5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol
CID 116686533
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole
CID 158995551
5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol
CID 116686535
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
5-(hydroxymethyl)-4-[hydroxy(sulfanyl)methyl]-2-methylpyridin-3-ol
CID 57165678
carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride
CID 139144797
1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]ethanone
CID 90678912
azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide
CID 158583577
4-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1-sulfanylbutan-2-one
CID 58139381

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane?
The IUPAC name of 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane (CID 158333850) is 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane.
What is the SMILES notation for 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane?
The canonical SMILES for 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane is C.Cc1ncc(CO)c(-c2ncc[nH]2)c1O.Cc1ncc(CO)c(-c2nccn2C)c1O.
What is the InChIKey of 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane?
The InChIKey is GQIMSZMWQXVACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.C10H11N3O2.CH4/c1-7-10(16)9(8(6-15)5-13-7)11-12-3-4-14(11)2;1-6-9(15)8(7(5-14)4-13-6)10-11-2-3-12-10;/h3-5,15-16H,6H2,1-2H3;2-4,14-15H,5H2,1H3,(H,11,12);1H4.
What are the key properties of 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane?
5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane has a molecular weight of 440.50 g/mol, XLogP of 2.60, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol;5-(hydroxymethyl)-2-methyl-4-(1-methylimidazol-2-yl)pyridin-3-ol;methane is sourced from PubChem (CID 158333850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).