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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride
CID 19900729
[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
CID 10832716
2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole
CID 102970117
4-(4,5-diphenyl-1H-imidazol-2-yl)piperidine
CID 177339626
2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 102517221
4,5-diphenyl-2-(3-phenylpyrazolidin-4-yl)-1H-imidazole
CID 78215114
1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine
CID 10578286
4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
CID 45232139
(3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one
CID 41083030
4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
CID 22254794
4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 70998364
2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 158996329

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).