2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C22H23N5O3S — CID 55505616

IUPAC2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H23N5O3S/c1-31(29,30)16-21-25-19-9-5-6-10-20(19)26(21)15-22(28)23-12-11-17-13-24-27(14-17)18-7-3-2-4-8-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,23,28)
InChIKeySHNWVEJKUOJJQX-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.13
Rot. Bonds8

About 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 55505616) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID55505616
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H23N5O3S/c1-31(29,30)16-21-25-19-9-5-6-10-20(19)26(21)15-22(28)23-12-11-17-13-24-27(14-17)18-7-3-2-4-8-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,23,28)
InChIKeySHNWVEJKUOJJQX-UHFFFAOYSA-N
XLogP2.13
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 39601951
N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 52572499
N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34317292
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 55973405
N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 35747603
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 24686776
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 55505616) is 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is SHNWVEJKUOJJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-31(29,30)16-21-25-19-9-5-6-10-20(19)26(21)15-22(28)23-12-11-17-13-24-27(14-17)18-7-3-2-4-8-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,23,28).
What are the key properties of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 437.53 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 55505616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).