3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole

C16H11N3O — CID 141095825

IUPAC3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole
SMILESc1cc(-c2ccon2)cc(-n2cnc3ccccc32)c1
InChIInChI=1S/C16H11N3O/c1-2-7-16-15(6-1)17-11-19(16)13-5-3-4-12(10-13)14-8-9-20-18-14/h1-11H
InChIKeyWMSOPWUTONZLMW-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.68
Rot. Bonds2

About 3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole

3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole (PubChem CID 141095825) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole
PubChem CID141095825
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole
SMILESc1cc(-c2ccon2)cc(-n2cnc3ccccc32)c1
InChIInChI=1S/C16H11N3O/c1-2-7-16-15(6-1)17-11-19(16)13-5-3-4-12(10-13)14-8-9-20-18-14/h1-11H
InChIKeyWMSOPWUTONZLMW-UHFFFAOYSA-N
XLogP3.68
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole
CID 11324072
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886
CID 149192166
CID 149192166
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577
1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole
CID 141181880
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442
3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazole
CID 58978587
1-(3H-benzimidazol-5-yl)benzimidazole
CID 67657705
1H-benzimidazole;1-(3-bromophenyl)benzimidazole;1,3-dibromobenzene
CID 162220915
4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid
CID 123739580
4-(benzimidazol-1-yl)benzaldehyde
CID 737733

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole?
The IUPAC name of 3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole (CID 141095825) is 3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole?
The canonical SMILES for 3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole is c1cc(-c2ccon2)cc(-n2cnc3ccccc32)c1.
What is the InChIKey of 3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole?
The InChIKey is WMSOPWUTONZLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-7-16-15(6-1)17-11-19(16)13-5-3-4-12(10-13)14-8-9-20-18-14/h1-11H.
What are the key properties of 3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole?
3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole has a molecular weight of 261.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole is sourced from PubChem (CID 141095825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).