2-(1H-benzimidazol-4-yl)-1,3-benzoxazole

C14H9N3O — CID 19842994

IUPAC2-(1H-benzimidazol-4-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3cccc4[nH]cnc34)nc2c1
InChIInChI=1S/C14H9N3O/c1-2-7-12-10(5-1)17-14(18-12)9-4-3-6-11-13(9)16-8-15-11/h1-8H,(H,15,16)
InChIKeyCPIQPHXSXZSDEJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.37
Rot. Bonds1

About 2-(1H-benzimidazol-4-yl)-1,3-benzoxazole

2-(1H-benzimidazol-4-yl)-1,3-benzoxazole (PubChem CID 19842994) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(1H-benzimidazol-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-4-yl)-1,3-benzoxazole
PubChem CID19842994
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name2-(1H-benzimidazol-4-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3cccc4[nH]cnc34)nc2c1
InChIInChI=1S/C14H9N3O/c1-2-7-12-10(5-1)17-14(18-12)9-4-3-6-11-13(9)16-8-15-11/h1-8H,(H,15,16)
InChIKeyCPIQPHXSXZSDEJ-UHFFFAOYSA-N
XLogP3.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylquinolin-8-yl)-1,3-benzoxazole
CID 12597845
3-(1,3-benzoxazol-2-yl)-1H-pyridine-2-thione
CID 137177094
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
6-(1,3-benzoxazol-2-yl)benzo[de]isoquinoline-1,3-dione
CID 155420196
2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole
CID 141473006
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-4-yl)-1,3-benzoxazole (CID 19842994) is 2-(1H-benzimidazol-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-4-yl)-1,3-benzoxazole is c1ccc2oc(-c3cccc4[nH]cnc34)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-4-yl)-1,3-benzoxazole?
The InChIKey is CPIQPHXSXZSDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c1-2-7-12-10(5-1)17-14(18-12)9-4-3-6-11-13(9)16-8-15-11/h1-8H,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-4-yl)-1,3-benzoxazole?
2-(1H-benzimidazol-4-yl)-1,3-benzoxazole has a molecular weight of 235.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 19842994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).