1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone

C16H11BrN4O — CID 1206143

IUPAC1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
SMILESO=C(Cn1c2ccccc2n2ncnc12)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN4O/c17-12-7-5-11(6-8-12)15(22)9-20-13-3-1-2-4-14(13)21-16(20)18-10-19-21/h1-8,10H,9H2
InChIKeyBGYVFRZYPQHDDP-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.33
Rot. Bonds3

About 1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone

1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone (PubChem CID 1206143) has the molecular formula C16H11BrN4O and a molecular weight of 355.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
PubChem CID1206143
Molecular FormulaC16H11BrN4O
Molecular Weight355.20 g/mol
Exact Mass354.01
IUPAC Name1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
SMILESO=C(Cn1c2ccccc2n2ncnc12)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN4O/c17-12-7-5-11(6-8-12)15(22)9-20-13-3-1-2-4-14(13)21-16(20)18-10-19-21/h1-8,10H,9H2
InChIKeyBGYVFRZYPQHDDP-UHFFFAOYSA-N
XLogP3.33
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone (CID 1206143) is 1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone is O=C(Cn1c2ccccc2n2ncnc12)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
The InChIKey is BGYVFRZYPQHDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O/c17-12-7-5-11(6-8-12)15(22)9-20-13-3-1-2-4-14(13)21-16(20)18-10-19-21/h1-8,10H,9H2.
What are the key properties of 1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone has a molecular weight of 355.20 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone is sourced from PubChem (CID 1206143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).