1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone

C19H16N4O2 — CID 20784616

IUPAC1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2nc3cc(C)ccc3n2C(C)=O)c2ccccc21
InChIInChI=1S/C19H16N4O2/c1-11-8-9-17-15(10-11)20-19(22(17)12(2)24)18-14-6-4-5-7-16(14)23(21-18)13(3)25/h4-10H,1-3H3
InChIKeyHEAHSYVMTZRWED-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.68
Rot. Bonds1

About 1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone

1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone (PubChem CID 20784616) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone
PubChem CID20784616
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2nc3cc(C)ccc3n2C(C)=O)c2ccccc21
InChIInChI=1S/C19H16N4O2/c1-11-8-9-17-15(10-11)20-19(22(17)12(2)24)18-14-6-4-5-7-16(14)23(21-18)13(3)25/h4-10H,1-3H3
InChIKeyHEAHSYVMTZRWED-UHFFFAOYSA-N
XLogP3.68
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.68
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)-5-methylbenzimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone (CID 20784616) is 1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone is CC(=O)n1nc(-c2nc3cc(C)ccc3n2C(C)=O)c2ccccc21.
What is the InChIKey of 1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone?
The InChIKey is HEAHSYVMTZRWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-8-9-17-15(10-11)20-19(22(17)12(2)24)18-14-6-4-5-7-16(14)23(21-18)13(3)25/h4-10H,1-3H3.
What are the key properties of 1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone?
1-[2-(1-acetylindazol-3-yl)-5-methylbenzimidazol-1-yl]ethanone has a molecular weight of 332.36 g/mol, XLogP of 3.68, 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)-5-methylbenzimidazol-1-yl]ethanone is sourced from PubChem (CID 20784616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).