phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone

C19H13N3O — CID 11609106

IUPACphenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C19H13N3O/c23-18(13-6-2-1-3-7-13)14-9-10-15-17(12-14)22-19(21-15)16-8-4-5-11-20-16/h1-12H,(H,21,22)
InChIKeyBGNFQBMDFVWHBS-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.86
Rot. Bonds3

About phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone

phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone (PubChem CID 11609106) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone
PubChem CID11609106
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Namephenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C19H13N3O/c23-18(13-6-2-1-3-7-13)14-9-10-15-17(12-14)22-19(21-15)16-8-4-5-11-20-16/h1-12H,(H,21,22)
InChIKeyBGNFQBMDFVWHBS-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone (CID 11609106) is phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone is O=C(c1ccccc1)c1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone?
The InChIKey is BGNFQBMDFVWHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-18(13-6-2-1-3-7-13)14-9-10-15-17(12-14)22-19(21-15)16-8-4-5-11-20-16/h1-12H,(H,21,22).
What are the key properties of phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone?
phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone has a molecular weight of 299.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 11609106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).