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

C11H10N2O — CID 3080926

IUPAC2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
SMILESc1ccc2oc(C3=NCCN3)cc2c1
InChIInChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
InChIKeyYTJOHEUHUVBKSB-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.78
Rot. Bonds1

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

2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 3080926) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID3080926
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
SMILESc1ccc2oc(C3=NCCN3)cc2c1
InChIInChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
InChIKeyYTJOHEUHUVBKSB-UHFFFAOYSA-N
XLogP1.78
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole (CID 3080926) is 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole is c1ccc2oc(C3=NCCN3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is YTJOHEUHUVBKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13).
What are the key properties of 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 186.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 3080926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).