2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one

C21H15N3O — CID 165414972

IUPAC2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H15N3O/c25-21-17-9-5-4-8-15(17)13-24(21)16-10-11-18-19(12-16)23-20(22-18)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChIKeyLBYPBYHXFOUBLD-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.39
Rot. Bonds2

About 2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one

2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one (PubChem CID 165414972) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one
PubChem CID165414972
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H15N3O/c25-21-17-9-5-4-8-15(17)13-24(21)16-10-11-18-19(12-16)23-20(22-18)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChIKeyLBYPBYHXFOUBLD-UHFFFAOYSA-N
XLogP4.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one (CID 165414972) is 2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one is O=C1c2ccccc2CN1c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one?
The InChIKey is LBYPBYHXFOUBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21-17-9-5-4-8-15(17)13-24(21)16-10-11-18-19(12-16)23-20(22-18)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23).
What are the key properties of 2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one?
2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one has a molecular weight of 325.37 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-3H-benzimidazol-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 165414972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).