2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole

C20H17FN2O — CID 70992611

IUPAC2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole
SMILESCc1cc(CCc2c(F)cccc2-c2ncc[nH]2)c2occc2c1
InChIInChI=1S/C20H17FN2O/c1-13-11-14(19-15(12-13)7-10-24-19)5-6-16-17(3-2-4-18(16)21)20-22-8-9-23-20/h2-4,7-12H,5-6H2,1H3,(H,22,23)
InChIKeyUASJWNMTUGZMMN-UHFFFAOYSA-N
MW320.37 g/mol
LogP5.06
Rot. Bonds4

About 2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole

2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole (PubChem CID 70992611) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole
PubChem CID70992611
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole
SMILESCc1cc(CCc2c(F)cccc2-c2ncc[nH]2)c2occc2c1
InChIInChI=1S/C20H17FN2O/c1-13-11-14(19-15(12-13)7-10-24-19)5-6-16-17(3-2-4-18(16)21)20-22-8-9-23-20/h2-4,7-12H,5-6H2,1H3,(H,22,23)
InChIKeyUASJWNMTUGZMMN-UHFFFAOYSA-N
XLogP5.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole?
The IUPAC name of 2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole (CID 70992611) is 2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole is Cc1cc(CCc2c(F)cccc2-c2ncc[nH]2)c2occc2c1.
What is the InChIKey of 2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole?
The InChIKey is UASJWNMTUGZMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-13-11-14(19-15(12-13)7-10-24-19)5-6-16-17(3-2-4-18(16)21)20-22-8-9-23-20/h2-4,7-12H,5-6H2,1H3,(H,22,23).
What are the key properties of 2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole?
2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole has a molecular weight of 320.37 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole is sourced from PubChem (CID 70992611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).