4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol

C17H18N4O3 — CID 142015833

IUPAC4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol
SMILESCc1cnc(C)c(O)c1-c1ncc(-c2c(CO)cnc(C)c2O)[nH]1
InChIInChI=1S/C17H18N4O3/c1-8-4-18-9(2)15(23)13(8)17-20-6-12(21-17)14-11(7-22)5-19-10(3)16(14)24/h4-6,22-24H,7H2,1-3H3,(H,20,21)
InChIKeyLJHPHKAZUCLYEU-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.36
Rot. Bonds3

About 4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol

4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol (PubChem CID 142015833) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol.

Molecular Properties

Compound Name4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol
PubChem CID142015833
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol
SMILESCc1cnc(C)c(O)c1-c1ncc(-c2c(CO)cnc(C)c2O)[nH]1
InChIInChI=1S/C17H18N4O3/c1-8-4-18-9(2)15(23)13(8)17-20-6-12(21-17)14-11(7-22)5-19-10(3)16(14)24/h4-6,22-24H,7H2,1-3H3,(H,20,21)
InChIKeyLJHPHKAZUCLYEU-UHFFFAOYSA-N
XLogP2.36
TPSA115.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol?
The IUPAC name of 4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol (CID 142015833) is 4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol.
What is the SMILES notation for 4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol?
The canonical SMILES for 4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol is Cc1cnc(C)c(O)c1-c1ncc(-c2c(CO)cnc(C)c2O)[nH]1.
What is the InChIKey of 4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol?
The InChIKey is LJHPHKAZUCLYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-8-4-18-9(2)15(23)13(8)17-20-6-12(21-17)14-11(7-22)5-19-10(3)16(14)24/h4-6,22-24H,7H2,1-3H3,(H,20,21).
What are the key properties of 4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol?
4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol has a molecular weight of 326.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1H-imidazol-2-yl]-2,5-dimethylpyridin-3-ol is sourced from PubChem (CID 142015833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).