2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine

C16H12FN3O — CID 162525117

IUPAC2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine
SMILESFc1ccc(-c2[nH]cnc2-c2ccc3c(c2)COC3)nc1
InChIInChI=1S/C16H12FN3O/c17-13-3-4-14(18-6-13)16-15(19-9-20-16)10-1-2-11-7-21-8-12(11)5-10/h1-6,9H,7-8H2,(H,19,20)
InChIKeyCLYACHPCFXYWPE-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.31
Rot. Bonds2

About 2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine

2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine (PubChem CID 162525117) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine
PubChem CID162525117
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine
SMILESFc1ccc(-c2[nH]cnc2-c2ccc3c(c2)COC3)nc1
InChIInChI=1S/C16H12FN3O/c17-13-3-4-14(18-6-13)16-15(19-9-20-16)10-1-2-11-7-21-8-12(11)5-10/h1-6,9H,7-8H2,(H,19,20)
InChIKeyCLYACHPCFXYWPE-UHFFFAOYSA-N
XLogP3.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine?
The IUPAC name of 2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine (CID 162525117) is 2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine?
The canonical SMILES for 2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine is Fc1ccc(-c2[nH]cnc2-c2ccc3c(c2)COC3)nc1.
What is the InChIKey of 2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine?
The InChIKey is CLYACHPCFXYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-3-4-14(18-6-13)16-15(19-9-20-16)10-1-2-11-7-21-8-12(11)5-10/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine?
2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine has a molecular weight of 281.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine is sourced from PubChem (CID 162525117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).