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

C20H13ClN4OS — CID 1038265

IUPAC1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
SMILESO=C(Cn1c2ccccc2n2nc(-c3cccs3)nc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN4OS/c21-14-9-7-13(8-10-14)17(26)12-24-15-4-1-2-5-16(15)25-20(24)22-19(23-25)18-6-3-11-27-18/h1-11H,12H2
InChIKeyJXVSMMMWQPBMDI-UHFFFAOYSA-N
MW392.87 g/mol
LogP4.95
Rot. Bonds4

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

1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone (PubChem CID 1038265) has the molecular formula C20H13ClN4OS and a molecular weight of 392.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
PubChem CID1038265
Molecular FormulaC20H13ClN4OS
Molecular Weight392.87 g/mol
Exact Mass392.05
IUPAC Name1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
SMILESO=C(Cn1c2ccccc2n2nc(-c3cccs3)nc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN4OS/c21-14-9-7-13(8-10-14)17(26)12-24-15-4-1-2-5-16(15)25-20(24)22-19(23-25)18-6-3-11-27-18/h1-11H,12H2
InChIKeyJXVSMMMWQPBMDI-UHFFFAOYSA-N
XLogP4.95
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone (CID 1038265) is 1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone is O=C(Cn1c2ccccc2n2nc(-c3cccs3)nc12)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
The InChIKey is JXVSMMMWQPBMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4OS/c21-14-9-7-13(8-10-14)17(26)12-24-15-4-1-2-5-16(15)25-20(24)22-19(23-25)18-6-3-11-27-18/h1-11H,12H2.
What are the key properties of 1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone has a molecular weight of 392.87 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone is sourced from PubChem (CID 1038265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).