1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole

C11H12N2O — CID 53427919

IUPAC1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole
SMILESC1=NCCN1C1OCc2ccccc21
InChIInChI=1S/C11H12N2O/c1-2-4-10-9(3-1)7-14-11(10)13-6-5-12-8-13/h1-4,8,11H,5-7H2
InChIKeySIUAAMTYZOTQQP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.56
Rot. Bonds1

About 1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole

1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole (PubChem CID 53427919) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole
PubChem CID53427919
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole
SMILESC1=NCCN1C1OCc2ccccc21
InChIInChI=1S/C11H12N2O/c1-2-4-10-9(3-1)7-14-11(10)13-6-5-12-8-13/h1-4,8,11H,5-7H2
InChIKeySIUAAMTYZOTQQP-UHFFFAOYSA-N
XLogP1.56
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole (CID 53427919) is 1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole is C1=NCCN1C1OCc2ccccc21.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole?
The InChIKey is SIUAAMTYZOTQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-4-10-9(3-1)7-14-11(10)13-6-5-12-8-13/h1-4,8,11H,5-7H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole?
1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole has a molecular weight of 188.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 53427919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).