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

C15H11FN2O — CID 64723752

IUPAC2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole
SMILESFc1cccc2[nH]c(-c3ccc4c(c3)COC4)nc12
InChIInChI=1S/C15H11FN2O/c16-12-2-1-3-13-14(12)18-15(17-13)9-4-5-10-7-19-8-11(10)6-9/h1-6H,7-8H2,(H,17,18)
InChIKeyIPGWAWWVFVQWEA-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.40
Rot. Bonds1

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

2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole (PubChem CID 64723752) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole
PubChem CID64723752
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole
SMILESFc1cccc2[nH]c(-c3ccc4c(c3)COC4)nc12
InChIInChI=1S/C15H11FN2O/c16-12-2-1-3-13-14(12)18-15(17-13)9-4-5-10-7-19-8-11(10)6-9/h1-6H,7-8H2,(H,17,18)
InChIKeyIPGWAWWVFVQWEA-UHFFFAOYSA-N
XLogP3.40
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole (CID 64723752) is 2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole is Fc1cccc2[nH]c(-c3ccc4c(c3)COC4)nc12.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole?
The InChIKey is IPGWAWWVFVQWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-2-1-3-13-14(12)18-15(17-13)9-4-5-10-7-19-8-11(10)6-9/h1-6H,7-8H2,(H,17,18).
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole?
2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole has a molecular weight of 254.26 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 64723752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).