4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole

C27H26N2O2 — CID 44604575

IUPAC4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
SMILESc1ccc(CCC2(Cn3cnc(-c4ccccc4)c3-c3ccccc3)OCCO2)cc1
InChIInChI=1S/C27H26N2O2/c1-4-10-22(11-5-1)16-17-27(30-18-19-31-27)20-29-21-28-25(23-12-6-2-7-13-23)26(29)24-14-8-3-9-15-24/h1-15,21H,16-20H2
InChIKeyOHKPZJLKLRGXJH-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.59
Rot. Bonds7

About 4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole

4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 44604575) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID44604575
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
SMILESc1ccc(CCC2(Cn3cnc(-c4ccccc4)c3-c3ccccc3)OCCO2)cc1
InChIInChI=1S/C27H26N2O2/c1-4-10-22(11-5-1)16-17-27(30-18-19-31-27)20-29-21-28-25(23-12-6-2-7-13-23)26(29)24-14-8-3-9-15-24/h1-15,21H,16-20H2
InChIKeyOHKPZJLKLRGXJH-UHFFFAOYSA-N
XLogP5.59
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole (CID 44604575) is 4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole is c1ccc(CCC2(Cn3cnc(-c4ccccc4)c3-c3ccccc3)OCCO2)cc1.
What is the InChIKey of 4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is OHKPZJLKLRGXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-4-10-22(11-5-1)16-17-27(30-18-19-31-27)20-29-21-28-25(23-12-6-2-7-13-23)26(29)24-14-8-3-9-15-24/h1-15,21H,16-20H2.
What are the key properties of 4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 410.52 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 44604575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).