2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C16H19N5O3S — CID 30886599

IUPAC2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C16H19N5O3S/c1-11(2)21-14(8-9-17-21)19-15(22)10-20-13-7-5-4-6-12(13)18-16(20)25(3,23)24/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyFNERQERMDPKXRE-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.86
Rot. Bonds5

About 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 30886599) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID30886599
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C16H19N5O3S/c1-11(2)21-14(8-9-17-21)19-15(22)10-20-13-7-5-4-6-12(13)18-16(20)25(3,23)24/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyFNERQERMDPKXRE-UHFFFAOYSA-N
XLogP1.86
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide 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

N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 43034758
N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 38991133
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 30835421
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 55463202
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-methylsulfonylbenzoate
CID 18083220
N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 46990812
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 91951375
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] quinoline-2-carboxylate
CID 7813108
N-(2-chloro-4-nitrophenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 30835316
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 27934156
2-(2-oxo-1-pyridinyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47106513
4-(2-methylsulfonylbenzimidazol-1-yl)butan-2-one
CID 30906910

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 30886599) is 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21.
What is the InChIKey of 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is FNERQERMDPKXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-11(2)21-14(8-9-17-21)19-15(22)10-20-13-7-5-4-6-12(13)18-16(20)25(3,23)24/h4-9,11H,10H2,1-3H3,(H,19,22).
What are the key properties of 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 361.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 30886599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).