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

C14H9N3O — CID 123792041

IUPAC5-(1H-benzimidazol-2-yl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(-c3ccc4ocnc4c3)nc2c1
InChIInChI=1S/C14H9N3O/c1-2-4-11-10(3-1)16-14(17-11)9-5-6-13-12(7-9)15-8-18-13/h1-8H,(H,16,17)
InChIKeySRQWNPCWWQCPRN-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.37
Rot. Bonds1

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

5-(1H-benzimidazol-2-yl)-1,3-benzoxazole (PubChem CID 123792041) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-1,3-benzoxazole
PubChem CID123792041
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name5-(1H-benzimidazol-2-yl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(-c3ccc4ocnc4c3)nc2c1
InChIInChI=1S/C14H9N3O/c1-2-4-11-10(3-1)16-14(17-11)9-5-6-13-12(7-9)15-8-18-13/h1-8H,(H,16,17)
InChIKeySRQWNPCWWQCPRN-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 5-(1H-benzimidazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-1,3-benzoxazole (CID 123792041) is 5-(1H-benzimidazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-1,3-benzoxazole is c1ccc2[nH]c(-c3ccc4ocnc4c3)nc2c1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-1,3-benzoxazole?
The InChIKey is SRQWNPCWWQCPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c1-2-4-11-10(3-1)16-14(17-11)9-5-6-13-12(7-9)15-8-18-13/h1-8H,(H,16,17).
What are the key properties of 5-(1H-benzimidazol-2-yl)-1,3-benzoxazole?
5-(1H-benzimidazol-2-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 5-(1H-benzimidazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 123792041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).