1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole

C22H16N2O — CID 71725441

IUPAC1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole
SMILESc1ccc(-c2oc3ccccc3c2Cn2cnc3ccccc32)cc1
InChIInChI=1S/C22H16N2O/c1-2-8-16(9-3-1)22-18(17-10-4-7-13-21(17)25-22)14-24-15-23-19-11-5-6-12-20(19)24/h1-13,15H,14H2
InChIKeyCABRHEYEVOPOSE-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.50
Rot. Bonds3

About 1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole

1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole (PubChem CID 71725441) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole
PubChem CID71725441
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole
SMILESc1ccc(-c2oc3ccccc3c2Cn2cnc3ccccc32)cc1
InChIInChI=1S/C22H16N2O/c1-2-8-16(9-3-1)22-18(17-10-4-7-13-21(17)25-22)14-24-15-23-19-11-5-6-12-20(19)24/h1-13,15H,14H2
InChIKeyCABRHEYEVOPOSE-UHFFFAOYSA-N
XLogP5.50
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 ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole?
The IUPAC name of 1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole (CID 71725441) is 1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole.
What is the SMILES notation for 1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole?
The canonical SMILES for 1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole is c1ccc(-c2oc3ccccc3c2Cn2cnc3ccccc32)cc1.
What is the InChIKey of 1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole?
The InChIKey is CABRHEYEVOPOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-2-8-16(9-3-1)22-18(17-10-4-7-13-21(17)25-22)14-24-15-23-19-11-5-6-12-20(19)24/h1-13,15H,14H2.
What are the key properties of 1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole?
1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole has a molecular weight of 324.38 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazole is sourced from PubChem (CID 71725441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).