1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone

C26H19N3O — CID 56950381

IUPAC1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(-c2ccccn2)nc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H19N3O/c30-25(21-15-13-20(14-16-21)19-8-2-1-3-9-19)18-29-24-12-5-4-10-22(24)28-26(29)23-11-6-7-17-27-23/h1-17H,18H2
InChIKeyCASCWMDKZDIOHH-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.65
Rot. Bonds5

About 1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone

1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone (PubChem CID 56950381) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone
PubChem CID56950381
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(-c2ccccn2)nc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H19N3O/c30-25(21-15-13-20(14-16-21)19-8-2-1-3-9-19)18-29-24-12-5-4-10-22(24)28-26(29)23-11-6-7-17-27-23/h1-17H,18H2
InChIKeyCASCWMDKZDIOHH-UHFFFAOYSA-N
XLogP5.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone (CID 56950381) is 1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone is O=C(Cn1c(-c2ccccn2)nc2ccccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone?
The InChIKey is CASCWMDKZDIOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c30-25(21-15-13-20(14-16-21)19-8-2-1-3-9-19)18-29-24-12-5-4-10-22(24)28-26(29)23-11-6-7-17-27-23/h1-17H,18H2.
What are the key properties of 1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone?
1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone has a molecular weight of 389.46 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 56950381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).