1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone

C24H17N3O2 — CID 24768648

IUPAC1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cccc(-n2cnc3cc(-c4ccno4)ccc32)c1
InChIInChI=1S/C24H17N3O2/c1-16(28)20-7-2-3-8-21(20)17-5-4-6-19(13-17)27-15-25-22-14-18(9-10-23(22)27)24-11-12-26-29-24/h2-15H,1H3
InChIKeyNYERINPGLXNKAO-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.55
Rot. Bonds4

About 1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone

1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone (PubChem CID 24768648) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone
PubChem CID24768648
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cccc(-n2cnc3cc(-c4ccno4)ccc32)c1
InChIInChI=1S/C24H17N3O2/c1-16(28)20-7-2-3-8-21(20)17-5-4-6-19(13-17)27-15-25-22-14-18(9-10-23(22)27)24-11-12-26-29-24/h2-15H,1H3
InChIKeyNYERINPGLXNKAO-UHFFFAOYSA-N
XLogP5.55
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone (CID 24768648) is 1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone is CC(=O)c1ccccc1-c1cccc(-n2cnc3cc(-c4ccno4)ccc32)c1.
What is the InChIKey of 1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone?
The InChIKey is NYERINPGLXNKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-16(28)20-7-2-3-8-21(20)17-5-4-6-19(13-17)27-15-25-22-14-18(9-10-23(22)27)24-11-12-26-29-24/h2-15H,1H3.
What are the key properties of 1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone?
1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone has a molecular weight of 379.42 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[5-(1,2-oxazol-5-yl)benzimidazol-1-yl]phenyl]phenyl]ethanone is sourced from PubChem (CID 24768648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).