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

C18H24N2O4 — CID 74982385

IUPAC5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCc1ccc(CCCc2cn3c(n2)C(O)C(O)C(O)C3CO)cc1
InChIInChI=1S/C18H24N2O4/c1-11-5-7-12(8-6-11)3-2-4-13-9-20-14(10-21)15(22)16(23)17(24)18(20)19-13/h5-9,14-17,21-24H,2-4,10H2,1H3
InChIKeyFETSBCRHESSCQO-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.67
Rot. Bonds5

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

5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 74982385) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID74982385
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCc1ccc(CCCc2cn3c(n2)C(O)C(O)C(O)C3CO)cc1
InChIInChI=1S/C18H24N2O4/c1-11-5-7-12(8-6-11)3-2-4-13-9-20-14(10-21)15(22)16(23)17(24)18(20)19-13/h5-9,14-17,21-24H,2-4,10H2,1H3
InChIKeyFETSBCRHESSCQO-UHFFFAOYSA-N
XLogP0.67
TPSA98.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of 5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 74982385) is 5-(hydroxymethyl)-2-[3-(4-methylphenyl)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-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for 5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is Cc1ccc(CCCc2cn3c(n2)C(O)C(O)C(O)C3CO)cc1.
What is the InChIKey of 5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is FETSBCRHESSCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-5-7-12(8-6-11)3-2-4-13-9-20-14(10-21)15(22)16(23)17(24)18(20)19-13/h5-9,14-17,21-24H,2-4,10H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 332.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 74982385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).