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

C23H26N2O2 — CID 10642419

IUPAC2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole
SMILESCCC1(CC)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
InChIInChI=1S/C23H26N2O2/c1-3-23(4-2)15-26-22(27-16-23)21-24-19(17-11-7-5-8-12-17)20(25-21)18-13-9-6-10-14-18/h5-14,22H,3-4,15-16H2,1-2H3,(H,24,25)
InChIKeyHWYZASAJZALBMJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.60
Rot. Bonds5

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

2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole (PubChem CID 10642419) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole
PubChem CID10642419
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole
SMILESCCC1(CC)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
InChIInChI=1S/C23H26N2O2/c1-3-23(4-2)15-26-22(27-16-23)21-24-19(17-11-7-5-8-12-17)20(25-21)18-13-9-6-10-14-18/h5-14,22H,3-4,15-16H2,1-2H3,(H,24,25)
InChIKeyHWYZASAJZALBMJ-UHFFFAOYSA-N
XLogP5.60
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole (CID 10642419) is 2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole is CCC1(CC)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1.
What is the InChIKey of 2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole?
The InChIKey is HWYZASAJZALBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-3-23(4-2)15-26-22(27-16-23)21-24-19(17-11-7-5-8-12-17)20(25-21)18-13-9-6-10-14-18/h5-14,22H,3-4,15-16H2,1-2H3,(H,24,25).
What are the key properties of 2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole?
2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole has a molecular weight of 362.47 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-diethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 10642419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).