2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole

C11H12N2O2 — CID 6603887

IUPAC2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(c1)OC[C@@H](C1=NCCN1)O2
InChIInChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)/t10-/m0/s1
InChIKeyHPMRFMKYPGXPEP-JTQLQIEISA-N
MW204.23 g/mol
LogP0.83
Rot. Bonds1

About 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole

2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole (PubChem CID 6603887) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole
PubChem CID6603887
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(c1)OC[C@@H](C1=NCCN1)O2
InChIInChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)/t10-/m0/s1
InChIKeyHPMRFMKYPGXPEP-JTQLQIEISA-N
XLogP0.83
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole (CID 6603887) is 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole is c1ccc2c(c1)OC[C@@H](C1=NCCN1)O2.
What is the InChIKey of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is HPMRFMKYPGXPEP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)/t10-/m0/s1.
What are the key properties of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole?
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 204.23 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 6603887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).