5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

C18H24N2O5 — CID 74982386

IUPAC5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCOc1ccc(CCCc2cn3c(n2)C(O)C(O)C(O)C3CO)cc1
InChIInChI=1S/C18H24N2O5/c1-25-13-7-5-11(6-8-13)3-2-4-12-9-20-14(10-21)15(22)16(23)17(24)18(20)19-12/h5-9,14-17,21-24H,2-4,10H2,1H3
InChIKeyCEEPDUGFKXBMCP-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.37
Rot. Bonds6

About 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 74982386) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID74982386
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCOc1ccc(CCCc2cn3c(n2)C(O)C(O)C(O)C3CO)cc1
InChIInChI=1S/C18H24N2O5/c1-25-13-7-5-11(6-8-13)3-2-4-12-9-20-14(10-21)15(22)16(23)17(24)18(20)19-12/h5-9,14-17,21-24H,2-4,10H2,1H3
InChIKeyCEEPDUGFKXBMCP-UHFFFAOYSA-N
XLogP0.37
TPSA107.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(5R,6R,7S,8S)-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10267025
(2-Isopropyl-3-methyl-3H-imidazol-4-yl)-(3-methoxy-phenyl)-methanol
CID 3140480
(5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-2-(phenoxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
CID 11197529
(5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-2-(2-phenylethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
CID 11312752
2-[3-(4-Fluorophenyl)propyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 74982389
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 53358795
(2-Methoxyphenyl)(1-methyl-2-propyl-1H-imidazol-5-yl)methanol
CID 2881241
(3-Methoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol
CID 2889570
5-(Hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 72796957
5-(Hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 74982385
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 54584212
(2,3-dimethoxyphenyl)(1-methyl-2-propyl-1H-imidazol-5-yl)methanol
CID 2849864

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 74982386) is 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.
What is the SMILES notation for 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is COc1ccc(CCCc2cn3c(n2)C(O)C(O)C(O)C3CO)cc1.
What is the InChIKey of 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is CEEPDUGFKXBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-25-13-7-5-11(6-8-13)3-2-4-12-9-20-14(10-21)15(22)16(23)17(24)18(20)19-12/h5-9,14-17,21-24H,2-4,10H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 348.40 g/mol, XLogP of 0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 74982386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).