[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol

C21H22N2O4 — CID 10832716

IUPAC[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
SMILESOCC1(CO)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
InChIInChI=1S/C21H22N2O4/c24-11-21(12-25)13-26-20(27-14-21)19-22-17(15-7-3-1-4-8-15)18(23-19)16-9-5-2-6-10-16/h1-10,20,24-25H,11-14H2,(H,22,23)
InChIKeyCBFZMHXLUHQTJV-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.76
Rot. Bonds5

About [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol

[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol (PubChem CID 10832716) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
PubChem CID10832716
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
SMILESOCC1(CO)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
InChIInChI=1S/C21H22N2O4/c24-11-21(12-25)13-26-20(27-14-21)19-22-17(15-7-3-1-4-8-15)18(23-19)16-9-5-2-6-10-16/h1-10,20,24-25H,11-14H2,(H,22,23)
InChIKeyCBFZMHXLUHQTJV-UHFFFAOYSA-N
XLogP2.76
TPSA87.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride
CID 19900729
2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole
CID 67917501
1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine
CID 10578286
(4,5-diphenyl-1H-imidazol-2-yl)methanol
CID 63926988
2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole
CID 102970117
4-(4,5-diphenyl-1H-imidazol-2-yl)piperidine
CID 177339626
1-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxyethanone
CID 67414953
4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
CID 22254794
[2-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol
CID 22254941
2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 102517221
(2-amino-2-oxo-1-phenylethyl) 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylate
CID 174554160
3-amino-2-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]-2-methyl-3-oxopropanoic acid
CID 154441980

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
The IUPAC name of [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol (CID 10832716) is [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol is OCC1(CO)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1.
What is the InChIKey of [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
The InChIKey is CBFZMHXLUHQTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-11-21(12-25)13-26-20(27-14-21)19-22-17(15-7-3-1-4-8-15)18(23-19)16-9-5-2-6-10-16/h1-10,20,24-25H,11-14H2,(H,22,23).
What are the key properties of [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol has a molecular weight of 366.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 10832716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).