4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one

C17H21N5O2 — CID 16669120

IUPAC4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
SMILESCCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCC3)nc12
InChIInChI=1S/C17H21N5O2/c1-2-20-13-8-4-5-9-14(13)22-16(20)18-21(17(22)24)12-15(23)19-10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyPPMYKGIRNWWVJW-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.48
Rot. Bonds3

About 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one

4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one (PubChem CID 16669120) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one.

Molecular Properties

Compound Name4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
PubChem CID16669120
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
SMILESCCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCC3)nc12
InChIInChI=1S/C17H21N5O2/c1-2-20-13-8-4-5-9-14(13)22-16(20)18-21(17(22)24)12-15(23)19-10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyPPMYKGIRNWWVJW-UHFFFAOYSA-N
XLogP1.48
TPSA64.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one with MolForge

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Related Compounds

1-[2-(4-ethyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetyl]piperidine-4-carboxamide
CID 16675470
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
CID 16676033
2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one
CID 16669275
ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
CID 16574565
1-(azepan-1-yl)-2-(3-methylindazol-1-yl)ethanone
CID 20886096
2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide
CID 95807514
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890
5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 16675961
2-[4-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35952699
3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one
CID 17035845
(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94178599
N-cyclohexyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
CID 46959237

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
The IUPAC name of 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one (CID 16669120) is 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one.
What is the SMILES notation for 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
The canonical SMILES for 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one is CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCC3)nc12.
What is the InChIKey of 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
The InChIKey is PPMYKGIRNWWVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-20-13-8-4-5-9-14(13)22-16(20)18-21(17(22)24)12-15(23)19-10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3.
What are the key properties of 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one has a molecular weight of 327.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one is sourced from PubChem (CID 16669120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).