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

C16H19N5O2 — CID 16676033

IUPAC4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
SMILESCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCC3)nc12
InChIInChI=1S/C16H19N5O2/c1-18-12-7-3-4-8-13(12)21-15(18)17-20(16(21)23)11-14(22)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyQLCLYNBOYREWEV-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.00
Rot. Bonds2

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

4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one (PubChem CID 16676033) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one.

Molecular Properties

Compound Name4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
PubChem CID16676033
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
SMILESCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCC3)nc12
InChIInChI=1S/C16H19N5O2/c1-18-12-7-3-4-8-13(12)21-15(18)17-20(16(21)23)11-14(22)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyQLCLYNBOYREWEV-UHFFFAOYSA-N
XLogP1.00
TPSA64.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
CID 16669120
2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one
CID 16669275
N-cyclohexyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
CID 46959237
N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
CID 16676035
1-[2-(4-ethyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetyl]piperidine-4-carboxamide
CID 16675470
1-(azepan-1-yl)-2-(3-methylindazol-1-yl)ethanone
CID 20886096
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-10-methyl-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione
CID 1435083
2-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 113340196
5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 16675961
4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-one
CID 115774445
2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)-N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 124909899
1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
The IUPAC name of 4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one (CID 16676033) is 4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one.
What is the SMILES notation for 4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
The canonical SMILES for 4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one is Cn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCC3)nc12.
What is the InChIKey of 4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
The InChIKey is QLCLYNBOYREWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-18-12-7-3-4-8-13(12)21-15(18)17-20(16(21)23)11-14(22)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one?
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one has a molecular weight of 313.36 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one is sourced from PubChem (CID 16676033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).