2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole

C23H17N5O — CID 122447482

IUPAC2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole
SMILESCCn1cc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc2n1
InChIInChI=1S/C23H17N5O/c1-2-28-13-16-8-7-14(11-20(16)27-28)15-9-10-19-21(12-15)29-23(26-19)22-24-17-5-3-4-6-18(17)25-22/h3-13H,2H2,1H3,(H,24,25)
InChIKeyPUNMXOKGWKWQKQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.41
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole (PubChem CID 122447482) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole
PubChem CID122447482
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole
SMILESCCn1cc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc2n1
InChIInChI=1S/C23H17N5O/c1-2-28-13-16-8-7-14(11-20(16)27-28)15-9-10-19-21(12-15)29-23(26-19)22-24-17-5-3-4-6-18(17)25-22/h3-13H,2H2,1H3,(H,24,25)
InChIKeyPUNMXOKGWKWQKQ-UHFFFAOYSA-N
XLogP5.41
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole (CID 122447482) is 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole is CCn1cc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc2n1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole?
The InChIKey is PUNMXOKGWKWQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-2-28-13-16-8-7-14(11-20(16)27-28)15-9-10-19-21(12-15)29-23(26-19)22-24-17-5-3-4-6-18(17)25-22/h3-13H,2H2,1H3,(H,24,25).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole has a molecular weight of 379.42 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 122447482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).