2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride

C21H23ClN2O2 — CID 19900729

IUPAC2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride
SMILESCC1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1.Cl
InChIInChI=1S/C21H22N2O2.ClH/c1-21(2)13-24-20(25-14-21)19-22-17(15-9-5-3-6-10-15)18(23-19)16-11-7-4-8-12-16;/h3-12,20H,13-14H2,1-2H3,(H,22,23);1H
InChIKeyHJIYIYDDZNTXSU-UHFFFAOYSA-N
MW370.88 g/mol
LogP5.24
Rot. Bonds3

About 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride

2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride (PubChem CID 19900729) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride
PubChem CID19900729
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride
SMILESCC1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1.Cl
InChIInChI=1S/C21H22N2O2.ClH/c1-21(2)13-24-20(25-14-21)19-22-17(15-9-5-3-6-10-15)18(23-19)16-11-7-4-8-12-16;/h3-12,20H,13-14H2,1-2H3,(H,22,23);1H
InChIKeyHJIYIYDDZNTXSU-UHFFFAOYSA-N
XLogP5.24
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride?
The IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride (CID 19900729) is 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride is CC1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1.Cl.
What is the InChIKey of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride?
The InChIKey is HJIYIYDDZNTXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.ClH/c1-21(2)13-24-20(25-14-21)19-22-17(15-9-5-3-6-10-15)18(23-19)16-11-7-4-8-12-16;/h3-12,20H,13-14H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride?
2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 19900729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).