2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole

C20H14N4O — CID 15954950

IUPAC2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
SMILESc1c[nH]c(-c2ccc(-c3cc4cc(-c5ncc[nH]5)ccc4o3)cc2)n1
InChIInChI=1S/C20H14N4O/c1-3-14(19-21-7-8-22-19)4-2-13(1)18-12-16-11-15(5-6-17(16)25-18)20-23-9-10-24-20/h1-12H,(H,21,22)(H,23,24)
InChIKeyZLOMRPDNWYYNMH-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.88
Rot. Bonds3

About 2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole

2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole (PubChem CID 15954950) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
PubChem CID15954950
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
SMILESc1c[nH]c(-c2ccc(-c3cc4cc(-c5ncc[nH]5)ccc4o3)cc2)n1
InChIInChI=1S/C20H14N4O/c1-3-14(19-21-7-8-22-19)4-2-13(1)18-12-16-11-15(5-6-17(16)25-18)20-23-9-10-24-20/h1-12H,(H,21,22)(H,23,24)
InChIKeyZLOMRPDNWYYNMH-UHFFFAOYSA-N
XLogP4.88
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
The IUPAC name of 2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole (CID 15954950) is 2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole is c1c[nH]c(-c2ccc(-c3cc4cc(-c5ncc[nH]5)ccc4o3)cc2)n1.
What is the InChIKey of 2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
The InChIKey is ZLOMRPDNWYYNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-3-14(19-21-7-8-22-19)4-2-13(1)18-12-16-11-15(5-6-17(16)25-18)20-23-9-10-24-20/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole has a molecular weight of 326.36 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole is sourced from PubChem (CID 15954950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).