1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole

C22H16N2O — CID 71652676

IUPAC1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole
SMILESc1ccc(C(c2cc3ccccc3o2)n2cnc3ccccc32)cc1
InChIInChI=1S/C22H16N2O/c1-2-8-16(9-3-1)22(21-14-17-10-4-7-13-20(17)25-21)24-15-23-18-11-5-6-12-19(18)24/h1-15,22H
InChIKeyASWHZPQPGCIRDS-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.42
Rot. Bonds3

About 1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole

1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole (PubChem CID 71652676) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole
PubChem CID71652676
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole
SMILESc1ccc(C(c2cc3ccccc3o2)n2cnc3ccccc32)cc1
InChIInChI=1S/C22H16N2O/c1-2-8-16(9-3-1)22(21-14-17-10-4-7-13-20(17)25-21)24-15-23-18-11-5-6-12-19(18)24/h1-15,22H
InChIKeyASWHZPQPGCIRDS-UHFFFAOYSA-N
XLogP5.42
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole?
The IUPAC name of 1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole (CID 71652676) is 1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole?
The canonical SMILES for 1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole is c1ccc(C(c2cc3ccccc3o2)n2cnc3ccccc32)cc1.
What is the InChIKey of 1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole?
The InChIKey is ASWHZPQPGCIRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-2-8-16(9-3-1)22(21-14-17-10-4-7-13-20(17)25-21)24-15-23-18-11-5-6-12-19(18)24/h1-15,22H.
What are the key properties of 1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole?
1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole has a molecular weight of 324.38 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzofuran-2-yl(phenyl)methyl]benzimidazole is sourced from PubChem (CID 71652676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).