2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole

C12H14N2O2 — CID 13102406

IUPAC2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc2c(c1)CC(C1=NCCN1)O2
InChIInChI=1S/C12H14N2O2/c1-15-9-2-3-10-8(6-9)7-11(16-10)12-13-4-5-14-12/h2-3,6,11H,4-5,7H2,1H3,(H,13,14)
InChIKeyPLZFIFFVIZCKHL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.00
Rot. Bonds2

About 2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole

2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 13102406) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID13102406
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc2c(c1)CC(C1=NCCN1)O2
InChIInChI=1S/C12H14N2O2/c1-15-9-2-3-10-8(6-9)7-11(16-10)12-13-4-5-14-12/h2-3,6,11H,4-5,7H2,1H3,(H,13,14)
InChIKeyPLZFIFFVIZCKHL-UHFFFAOYSA-N
XLogP1.00
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole (CID 13102406) is 2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole is COc1ccc2c(c1)CC(C1=NCCN1)O2.
What is the InChIKey of 2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is PLZFIFFVIZCKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-9-2-3-10-8(6-9)7-11(16-10)12-13-4-5-14-12/h2-3,6,11H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 218.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 13102406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).