2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole

C20H14N4O — CID 15954951

IUPAC2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
SMILESc1cc(-c2ncc[nH]2)cc(-c2cc3cc(-c4ncc[nH]4)ccc3o2)c1
InChIInChI=1S/C20H14N4O/c1-2-13(10-14(3-1)19-21-6-7-22-19)18-12-16-11-15(4-5-17(16)25-18)20-23-8-9-24-20/h1-12H,(H,21,22)(H,23,24)
InChIKeyCEUDWFFQHYGQLQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.88
Rot. Bonds3

About 2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole

2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole (PubChem CID 15954951) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
PubChem CID15954951
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
SMILESc1cc(-c2ncc[nH]2)cc(-c2cc3cc(-c4ncc[nH]4)ccc3o2)c1
InChIInChI=1S/C20H14N4O/c1-2-13(10-14(3-1)19-21-6-7-22-19)18-12-16-11-15(4-5-17(16)25-18)20-23-8-9-24-20/h1-12H,(H,21,22)(H,23,24)
InChIKeyCEUDWFFQHYGQLQ-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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Related Compounds

1H-Imidazole, 2-(2-benzofuranyl)-, monohydrochloride
CID 3073595
2-(1-benzofuran-2-yl)-1H-imidazole
CID 3073596
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrazin-2-yl-amine
CID 11522882
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-5-yl-amine
CID 11551775
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-2-yl-amine
CID 11573592
2-[4-[5-(1H-imidazol-2-yl)benzofuran-2-yl]phenyl]-1H-imidazole
CID 15954950
2-[4-[5-(1H-benzimidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139629
2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzofuran-5-yl]-1H-benzimidazole
CID 25139630
2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139631
2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
CID 44534779
2-((S)-pyrrolidin-2-yl)-5-(2-(4-(5-((s)-pyrrolidin-2-yl)-1h-imidazol-2-yl)phenyl)benzofuran-5-yl)-1h-imidazole
CID 118716078
1-Butyl-3-(1-dibenzofuran-2-ylethyl)imidazol-1-ium iodide
CID 72205448

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
The IUPAC name of 2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole (CID 15954951) is 2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole is c1cc(-c2ncc[nH]2)cc(-c2cc3cc(-c4ncc[nH]4)ccc3o2)c1.
What is the InChIKey of 2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
The InChIKey is CEUDWFFQHYGQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-2-13(10-14(3-1)19-21-6-7-22-19)18-12-16-11-15(4-5-17(16)25-18)20-23-8-9-24-20/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
2-[3-[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-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole is sourced from PubChem (CID 15954951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).