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

C23H17N5O — CID 122447475

IUPAC2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole
SMILESCCn1ncc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc21
InChIInChI=1S/C23H17N5O/c1-2-28-20-11-14(7-8-16(20)13-24-28)15-9-10-19-21(12-15)29-23(27-19)22-25-17-5-3-4-6-18(17)26-22/h3-13H,2H2,1H3,(H,25,26)
InChIKeyOIVDUEYLFBOBSD-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.41
Rot. Bonds3

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

2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole (PubChem CID 122447475) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole
PubChem CID122447475
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole
SMILESCCn1ncc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc21
InChIInChI=1S/C23H17N5O/c1-2-28-20-11-14(7-8-16(20)13-24-28)15-9-10-19-21(12-15)29-23(27-19)22-25-17-5-3-4-6-18(17)26-22/h3-13H,2H2,1H3,(H,25,26)
InChIKeyOIVDUEYLFBOBSD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole (CID 122447475) is 2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole is CCn1ncc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc21.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole?
The InChIKey is OIVDUEYLFBOBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-2-28-20-11-14(7-8-16(20)13-24-28)15-9-10-19-21(12-15)29-23(27-19)22-25-17-5-3-4-6-18(17)26-22/h3-13H,2H2,1H3,(H,25,26).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-(1-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-(1-ethylindazol-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 122447475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).