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

C17H14N4O2 — CID 829976

IUPAC1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2c3ccccc3n3ncnc23)cc1
InChIInChI=1S/C17H14N4O2/c1-23-13-8-6-12(7-9-13)16(22)10-20-14-4-2-3-5-15(14)21-17(20)18-11-19-21/h2-9,11H,10H2,1H3
InChIKeyNCSFIRHDEPQHET-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.58
Rot. Bonds4

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

1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone (PubChem CID 829976) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
PubChem CID829976
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2c3ccccc3n3ncnc23)cc1
InChIInChI=1S/C17H14N4O2/c1-23-13-8-6-12(7-9-13)16(22)10-20-14-4-2-3-5-15(14)21-17(20)18-11-19-21/h2-9,11H,10H2,1H3
InChIKeyNCSFIRHDEPQHET-UHFFFAOYSA-N
XLogP2.58
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone (CID 829976) is 1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone is COc1ccc(C(=O)Cn2c3ccccc3n3ncnc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
The InChIKey is NCSFIRHDEPQHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-23-13-8-6-12(7-9-13)16(22)10-20-14-4-2-3-5-15(14)21-17(20)18-11-19-21/h2-9,11H,10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone?
1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone has a molecular weight of 306.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone is sourced from PubChem (CID 829976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).