2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole

C20H20N2O2 — CID 67917501

IUPAC2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole
SMILESCC1COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
InChIInChI=1S/C20H20N2O2/c1-14-12-23-20(24-13-14)19-21-17(15-8-4-2-5-9-15)18(22-19)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3,(H,21,22)
InChIKeyNXKAPFBQBVWPNN-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.43
Rot. Bonds3

About 2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole

2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole (PubChem CID 67917501) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole
PubChem CID67917501
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole
SMILESCC1COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
InChIInChI=1S/C20H20N2O2/c1-14-12-23-20(24-13-14)19-21-17(15-8-4-2-5-9-15)18(22-19)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3,(H,21,22)
InChIKeyNXKAPFBQBVWPNN-UHFFFAOYSA-N
XLogP4.43
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole (CID 67917501) is 2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole is CC1COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1.
What is the InChIKey of 2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole?
The InChIKey is NXKAPFBQBVWPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-12-23-20(24-13-14)19-21-17(15-8-4-2-5-9-15)18(22-19)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3,(H,21,22).
What are the key properties of 2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole?
2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole has a molecular weight of 320.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 67917501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).