[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol

C14H16N2O2 — CID 64508144

IUPAC[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol
SMILESCC1(C)Cc2cccc(-c3ncc(CO)[nH]3)c2O1
InChIInChI=1S/C14H16N2O2/c1-14(2)6-9-4-3-5-11(12(9)18-14)13-15-7-10(8-17)16-13/h3-5,7,17H,6,8H2,1-2H3,(H,15,16)
InChIKeyLOJXLTCEJLEONB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.28
Rot. Bonds2

About [2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol

[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol (PubChem CID 64508144) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol
PubChem CID64508144
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol
SMILESCC1(C)Cc2cccc(-c3ncc(CO)[nH]3)c2O1
InChIInChI=1S/C14H16N2O2/c1-14(2)6-9-4-3-5-11(12(9)18-14)13-15-7-10(8-17)16-13/h3-5,7,17H,6,8H2,1-2H3,(H,15,16)
InChIKeyLOJXLTCEJLEONB-UHFFFAOYSA-N
XLogP2.28
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol (CID 64508144) is [2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol is CC1(C)Cc2cccc(-c3ncc(CO)[nH]3)c2O1.
What is the InChIKey of [2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol?
The InChIKey is LOJXLTCEJLEONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2)6-9-4-3-5-11(12(9)18-14)13-15-7-10(8-17)16-13/h3-5,7,17H,6,8H2,1-2H3,(H,15,16).
What are the key properties of [2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol?
[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol has a molecular weight of 244.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 64508144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).