N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide

C20H16FN3O2 — CID 46913221

IUPACN-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)n1ccnc1)c1cc2ccccc2o1
InChIInChI=1S/C20H16FN3O2/c21-16-7-5-14(6-8-16)17(24-10-9-22-13-24)12-23-20(25)19-11-15-3-1-2-4-18(15)26-19/h1-11,13,17H,12H2,(H,23,25)
InChIKeyCNWPTKQRIRDBPW-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.79
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide

N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 46913221) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide
PubChem CID46913221
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)n1ccnc1)c1cc2ccccc2o1
InChIInChI=1S/C20H16FN3O2/c21-16-7-5-14(6-8-16)17(24-10-9-22-13-24)12-23-20(25)19-11-15-3-1-2-4-18(15)26-19/h1-11,13,17H,12H2,(H,23,25)
InChIKeyCNWPTKQRIRDBPW-UHFFFAOYSA-N
XLogP3.79
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide (CID 46913221) is N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide is O=C(NCC(c1ccc(F)cc1)n1ccnc1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide?
The InChIKey is CNWPTKQRIRDBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-16-7-5-14(6-8-16)17(24-10-9-22-13-24)12-23-20(25)19-11-15-3-1-2-4-18(15)26-19/h1-11,13,17H,12H2,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide?
N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46913221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).