2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole

C12H12N2O2 — CID 12761756

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole
SMILESc1ccc2c(c1)OCC(Cc1ncc[nH]1)O2
InChIInChI=1S/C12H12N2O2/c1-2-4-11-10(3-1)15-8-9(16-11)7-12-13-5-6-14-12/h1-6,9H,7-8H2,(H,13,14)
InChIKeyFMJHRCKHSCBACX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.79
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole (PubChem CID 12761756) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole
PubChem CID12761756
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole
SMILESc1ccc2c(c1)OCC(Cc1ncc[nH]1)O2
InChIInChI=1S/C12H12N2O2/c1-2-4-11-10(3-1)15-8-9(16-11)7-12-13-5-6-14-12/h1-6,9H,7-8H2,(H,13,14)
InChIKeyFMJHRCKHSCBACX-UHFFFAOYSA-N
XLogP1.79
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole (CID 12761756) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole is c1ccc2c(c1)OCC(Cc1ncc[nH]1)O2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole?
The InChIKey is FMJHRCKHSCBACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-4-11-10(3-1)15-8-9(16-11)7-12-13-5-6-14-12/h1-6,9H,7-8H2,(H,13,14).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole has a molecular weight of 216.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazole is sourced from PubChem (CID 12761756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).