2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole

C11H11FN2O — CID 13340695

IUPAC2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
SMILESFc1cccc2c1OC(C1=NCCN1)C2
InChIInChI=1S/C11H11FN2O/c12-8-3-1-2-7-6-9(15-10(7)8)11-13-4-5-14-11/h1-3,9H,4-6H2,(H,13,14)
InChIKeyIKBPNXSHJHSBSN-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.13
Rot. Bonds1

About 2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole

2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 13340695) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID13340695
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
SMILESFc1cccc2c1OC(C1=NCCN1)C2
InChIInChI=1S/C11H11FN2O/c12-8-3-1-2-7-6-9(15-10(7)8)11-13-4-5-14-11/h1-3,9H,4-6H2,(H,13,14)
InChIKeyIKBPNXSHJHSBSN-UHFFFAOYSA-N
XLogP1.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole (CID 13340695) is 2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole is Fc1cccc2c1OC(C1=NCCN1)C2.
What is the InChIKey of 2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is IKBPNXSHJHSBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-8-3-1-2-7-6-9(15-10(7)8)11-13-4-5-14-11/h1-3,9H,4-6H2,(H,13,14).
What are the key properties of 2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 206.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 13340695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).