2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole

C23H22FN3O — CID 143153184

IUPAC2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=NCCN2)c1CCc1cc(N2C=CCC2)cc2ccoc12
InChIInChI=1S/C23H22FN3O/c24-21-5-3-4-20(23-25-9-10-26-23)19(21)7-6-16-14-18(27-11-1-2-12-27)15-17-8-13-28-22(16)17/h1,3-5,8,11,13-15H,2,6-7,9-10,12H2,(H,25,26)
InChIKeyDAAZYQBJMORBKH-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.43
Rot. Bonds5

About 2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole

2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole (PubChem CID 143153184) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
PubChem CID143153184
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=NCCN2)c1CCc1cc(N2C=CCC2)cc2ccoc12
InChIInChI=1S/C23H22FN3O/c24-21-5-3-4-20(23-25-9-10-26-23)19(21)7-6-16-14-18(27-11-1-2-12-27)15-17-8-13-28-22(16)17/h1,3-5,8,11,13-15H,2,6-7,9-10,12H2,(H,25,26)
InChIKeyDAAZYQBJMORBKH-UHFFFAOYSA-N
XLogP4.43
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole (CID 143153184) is 2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole is Fc1cccc(C2=NCCN2)c1CCc1cc(N2C=CCC2)cc2ccoc12.
What is the InChIKey of 2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is DAAZYQBJMORBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-21-5-3-4-20(23-25-9-10-26-23)19(21)7-6-16-14-18(27-11-1-2-12-27)15-17-8-13-28-22(16)17/h1,3-5,8,11,13-15H,2,6-7,9-10,12H2,(H,25,26).
What are the key properties of 2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole?
2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 375.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 143153184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).