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

C23H26N2O4 — CID 74982387

IUPAC5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESOCC1C(O)C(O)C(O)c2nc(CCCc3ccc(-c4ccccc4)cc3)cn21
InChIInChI=1S/C23H26N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-13,19-22,26-29H,4-5,8,14H2
InChIKeyJYUBGYMPVKAJEH-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.03
Rot. Bonds6

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

5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 74982387) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID74982387
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESOCC1C(O)C(O)C(O)c2nc(CCCc3ccc(-c4ccccc4)cc3)cn21
InChIInChI=1S/C23H26N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-13,19-22,26-29H,4-5,8,14H2
InChIKeyJYUBGYMPVKAJEH-UHFFFAOYSA-N
XLogP2.03
TPSA98.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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
GlcNAcstatin
CID 16098255
(5R,6R,7S,8S)-5-(Hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-A]pyridine-6,7,8-triol
CID 5288604
(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
N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
CID 72199425
2-[3-(4-Cyclohexylphenyl)propyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 74982388
(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
(6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10880304
(5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-2-(2-phenylethynyl)-imidazo[1,2-a]pyridine-6,7,8-triol
CID 11312611
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

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of 5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 74982387) is 5-(hydroxymethyl)-2-[3-(4-phenylphenyl)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-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for 5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(-c4ccccc4)cc3)cn21.
What is the InChIKey of 5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is JYUBGYMPVKAJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-13,19-22,26-29H,4-5,8,14H2.
What are the key properties of 5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 394.47 g/mol, XLogP of 2.03, 6 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-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 74982387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).