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

C21H22N2O3 — CID 10736591

IUPAC[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol
SMILESCC1(CO)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
InChIInChI=1S/C21H22N2O3/c1-21(12-24)13-25-20(26-14-21)19-22-17(15-8-4-2-5-9-15)18(23-19)16-10-6-3-7-11-16/h2-11,20,24H,12-14H2,1H3,(H,22,23)
InChIKeyWTRKWLHEIVJAHM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.79
Rot. Bonds4

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

[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol (PubChem CID 10736591) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol
PubChem CID10736591
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol
SMILESCC1(CO)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
InChIInChI=1S/C21H22N2O3/c1-21(12-24)13-25-20(26-14-21)19-22-17(15-8-4-2-5-9-15)18(23-19)16-10-6-3-7-11-16/h2-11,20,24H,12-14H2,1H3,(H,22,23)
InChIKeyWTRKWLHEIVJAHM-UHFFFAOYSA-N
XLogP3.79
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol?
The IUPAC name of [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol (CID 10736591) is [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol is CC1(CO)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1.
What is the InChIKey of [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol?
The InChIKey is WTRKWLHEIVJAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-21(12-24)13-25-20(26-14-21)19-22-17(15-8-4-2-5-9-15)18(23-19)16-10-6-3-7-11-16/h2-11,20,24H,12-14H2,1H3,(H,22,23).
What are the key properties of [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol?
[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol has a molecular weight of 350.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 10736591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).