2-(3H-benzimidazol-5-yl)-1,3-benzoxazole

C14H9N3O — CID 831980

IUPAC2-(3H-benzimidazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1
InChIInChI=1S/C14H9N3O/c1-2-4-13-11(3-1)17-14(18-13)9-5-6-10-12(7-9)16-8-15-10/h1-8H,(H,15,16)
InChIKeyXPLZCBAQKAMBHT-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.37
Rot. Bonds1

About 2-(3H-benzimidazol-5-yl)-1,3-benzoxazole

2-(3H-benzimidazol-5-yl)-1,3-benzoxazole (PubChem CID 831980) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-1,3-benzoxazole
PubChem CID831980
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name2-(3H-benzimidazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1
InChIInChI=1S/C14H9N3O/c1-2-4-13-11(3-1)17-14(18-13)9-5-6-10-12(7-9)16-8-15-10/h1-8H,(H,15,16)
InChIKeyXPLZCBAQKAMBHT-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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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-1,3-benzoxazole (CID 831980) is 2-(3H-benzimidazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-1,3-benzoxazole is c1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-1,3-benzoxazole?
The InChIKey is XPLZCBAQKAMBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c1-2-4-13-11(3-1)17-14(18-13)9-5-6-10-12(7-9)16-8-15-10/h1-8H,(H,15,16).
What are the key properties of 2-(3H-benzimidazol-5-yl)-1,3-benzoxazole?
2-(3H-benzimidazol-5-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-(3H-benzimidazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 831980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).