1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone

C18H14N4O2 — CID 69241718

IUPAC1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2nc3ccccc3n2C(C)=O)c2ccccc21
InChIInChI=1S/C18H14N4O2/c1-11(23)21-16-10-6-4-8-14(16)19-18(21)17-13-7-3-5-9-15(13)22(20-17)12(2)24/h3-10H,1-2H3
InChIKeyOHTWJYPCDDFQTB-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.37
Rot. Bonds1

About 1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone

1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone (PubChem CID 69241718) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone
PubChem CID69241718
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2nc3ccccc3n2C(C)=O)c2ccccc21
InChIInChI=1S/C18H14N4O2/c1-11(23)21-16-10-6-4-8-14(16)19-18(21)17-13-7-3-5-9-15(13)22(20-17)12(2)24/h3-10H,1-2H3
InChIKeyOHTWJYPCDDFQTB-UHFFFAOYSA-N
XLogP3.37
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone (CID 69241718) is 1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone is CC(=O)n1nc(-c2nc3ccccc3n2C(C)=O)c2ccccc21.
What is the InChIKey of 1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone?
The InChIKey is OHTWJYPCDDFQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-11(23)21-16-10-6-4-8-14(16)19-18(21)17-13-7-3-5-9-15(13)22(20-17)12(2)24/h3-10H,1-2H3.
What are the key properties of 1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone?
1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone has a molecular weight of 318.34 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetylindazol-3-yl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 69241718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).