5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole

C21H14N4O — CID 54555296

IUPAC5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole
SMILESc1cncc(-c2cccc(-n3cnc4cc(-c5ccno5)ccc43)c2)c1
InChIInChI=1S/C21H14N4O/c1-3-15(17-4-2-9-22-13-17)11-18(5-1)25-14-23-19-12-16(6-7-20(19)25)21-8-10-24-26-21/h1-14H
InChIKeyZMTFBVBOJPRKSV-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.74
Rot. Bonds3

About 5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole

5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole (PubChem CID 54555296) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole
PubChem CID54555296
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole
SMILESc1cncc(-c2cccc(-n3cnc4cc(-c5ccno5)ccc43)c2)c1
InChIInChI=1S/C21H14N4O/c1-3-15(17-4-2-9-22-13-17)11-18(5-1)25-14-23-19-12-16(6-7-20(19)25)21-8-10-24-26-21/h1-14H
InChIKeyZMTFBVBOJPRKSV-UHFFFAOYSA-N
XLogP4.74
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
The IUPAC name of 5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole (CID 54555296) is 5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
The canonical SMILES for 5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole is c1cncc(-c2cccc(-n3cnc4cc(-c5ccno5)ccc43)c2)c1.
What is the InChIKey of 5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
The InChIKey is ZMTFBVBOJPRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c1-3-15(17-4-2-9-22-13-17)11-18(5-1)25-14-23-19-12-16(6-7-20(19)25)21-8-10-24-26-21/h1-14H.
What are the key properties of 5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole has a molecular weight of 338.37 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 54555296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).