2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole

C24H26N2O2 — CID 10690829

IUPAC2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(C3OCC4(CCCCC4)CO3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-21(19-12-6-2-7-13-19)26-22(25-20)23-27-16-24(17-28-23)14-8-3-9-15-24/h1-2,4-7,10-13,23H,3,8-9,14-17H2,(H,25,26)
InChIKeyCJUUTCIAEIIDEW-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.74
Rot. Bonds3

About 2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole

2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole (PubChem CID 10690829) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole
PubChem CID10690829
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(C3OCC4(CCCCC4)CO3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-21(19-12-6-2-7-13-19)26-22(25-20)23-27-16-24(17-28-23)14-8-3-9-15-24/h1-2,4-7,10-13,23H,3,8-9,14-17H2,(H,25,26)
InChIKeyCJUUTCIAEIIDEW-UHFFFAOYSA-N
XLogP5.74
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole (CID 10690829) is 2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole is c1ccc(-c2nc(C3OCC4(CCCCC4)CO3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole?
The InChIKey is CJUUTCIAEIIDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-21(19-12-6-2-7-13-19)26-22(25-20)23-27-16-24(17-28-23)14-8-3-9-15-24/h1-2,4-7,10-13,23H,3,8-9,14-17H2,(H,25,26).
What are the key properties of 2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole?
2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole has a molecular weight of 374.48 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxaspiro[5.5]undecan-3-yl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 10690829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).