5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole

C14H16N2O2 — CID 3087975

IUPAC5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole
SMILESCC1(C)OCc2cccc(Cc3cnc[nH]3)c2O1
InChIInChI=1S/C14H16N2O2/c1-14(2)17-8-11-5-3-4-10(13(11)18-14)6-12-7-15-9-16-12/h3-5,7,9H,6,8H2,1-2H3,(H,15,16)
InChIKeyGSOJMFJZZGOALN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.65
Rot. Bonds2

About 5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole

5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole (PubChem CID 3087975) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole
PubChem CID3087975
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole
SMILESCC1(C)OCc2cccc(Cc3cnc[nH]3)c2O1
InChIInChI=1S/C14H16N2O2/c1-14(2)17-8-11-5-3-4-10(13(11)18-14)6-12-7-15-9-16-12/h3-5,7,9H,6,8H2,1-2H3,(H,15,16)
InChIKeyGSOJMFJZZGOALN-UHFFFAOYSA-N
XLogP2.65
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole (CID 3087975) is 5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole is CC1(C)OCc2cccc(Cc3cnc[nH]3)c2O1.
What is the InChIKey of 5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole?
The InChIKey is GSOJMFJZZGOALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2)17-8-11-5-3-4-10(13(11)18-14)6-12-7-15-9-16-12/h3-5,7,9H,6,8H2,1-2H3,(H,15,16).
What are the key properties of 5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole?
5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole has a molecular weight of 244.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole is sourced from PubChem (CID 3087975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).