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

C11H12N2O — CID 3036124

IUPAC2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(c1)CC(C1=NCCN1)O2
InChIInChI=1S/C11H12N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
InChIKeyLNWJIGHZWAERHO-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.99
Rot. Bonds1

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

2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 3036124) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID3036124
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(c1)CC(C1=NCCN1)O2
InChIInChI=1S/C11H12N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
InChIKeyLNWJIGHZWAERHO-UHFFFAOYSA-N
XLogP0.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.99
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-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole (CID 3036124) is 2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole is c1ccc2c(c1)CC(C1=NCCN1)O2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is LNWJIGHZWAERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 188.23 g/mol, XLogP of 0.99, 1 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-benzofuran-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 3036124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).