[5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol

C17H16N2O4 — CID 56861091

IUPAC[5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2nccn2CC2COc3ccccc3O2)o1
InChIInChI=1S/C17H16N2O4/c20-10-12-5-6-16(22-12)17-18-7-8-19(17)9-13-11-21-14-3-1-2-4-15(14)23-13/h1-8,13,20H,9-11H2
InChIKeyBFTHCSHKIDLRJY-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.48
Rot. Bonds4

About [5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol

[5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol (PubChem CID 56861091) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is [5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol
PubChem CID56861091
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name[5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2nccn2CC2COc3ccccc3O2)o1
InChIInChI=1S/C17H16N2O4/c20-10-12-5-6-16(22-12)17-18-7-8-19(17)9-13-11-21-14-3-1-2-4-15(14)23-13/h1-8,13,20H,9-11H2
InChIKeyBFTHCSHKIDLRJY-UHFFFAOYSA-N
XLogP2.48
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol (CID 56861091) is [5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol is OCc1ccc(-c2nccn2CC2COc3ccccc3O2)o1.
What is the InChIKey of [5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol?
The InChIKey is BFTHCSHKIDLRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-10-12-5-6-16(22-12)17-18-7-8-19(17)9-13-11-21-14-3-1-2-4-15(14)23-13/h1-8,13,20H,9-11H2.
What are the key properties of [5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol?
[5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol has a molecular weight of 312.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol is sourced from PubChem (CID 56861091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).