N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

C16H17N5O3S — CID 30835332

IUPACN,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESCS(=O)(=O)c1nc2ccccc2n1CC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C16H17N5O3S/c1-25(23,24)16-19-13-6-2-3-7-14(13)21(16)12-15(22)20(10-4-8-17)11-5-9-18/h2-3,6-7H,4-5,10-12H2,1H3
InChIKeyPMKJTKBWQAJOFI-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.10
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (PubChem CID 30835332) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
PubChem CID30835332
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESCS(=O)(=O)c1nc2ccccc2n1CC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C16H17N5O3S/c1-25(23,24)16-19-13-6-2-3-7-14(13)21(16)12-15(22)20(10-4-8-17)11-5-9-18/h2-3,6-7H,4-5,10-12H2,1H3
InChIKeyPMKJTKBWQAJOFI-UHFFFAOYSA-N
XLogP1.10
TPSA119.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methylsulfonylbenzimidazol-1-yl)butan-2-one
CID 30906910
1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
CID 30906896
2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30886599
N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 7246599
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 27934156
1-[(3R)-3-methylpiperidin-1-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
CID 26550314
N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 38991133
1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile
CID 56805996
3-(2-methylsulfonylbenzimidazol-1-yl)propane-1-sulfonate
CID 162460225
N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 43034758
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 55463202
N,N-bis(2-cyanoethyl)-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
CID 51106559

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (CID 30835332) is N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is CS(=O)(=O)c1nc2ccccc2n1CC(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The InChIKey is PMKJTKBWQAJOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-25(23,24)16-19-13-6-2-3-7-14(13)21(16)12-15(22)20(10-4-8-17)11-5-9-18/h2-3,6-7H,4-5,10-12H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 30835332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).