N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide

C19H27N3O3S — CID 34366434

IUPACN-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC1CCCCCCC1
InChIInChI=1S/C19H27N3O3S/c1-26(24,25)14-18-21-16-11-7-8-12-17(16)22(18)13-19(23)20-15-9-5-3-2-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13-14H2,1H3,(H,20,23)
InChIKeyMYNQIJSZBTXLPL-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.81
Rot. Bonds5

About N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide

N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 34366434) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
PubChem CID34366434
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC1CCCCCCC1
InChIInChI=1S/C19H27N3O3S/c1-26(24,25)14-18-21-16-11-7-8-12-17(16)22(18)13-19(23)20-15-9-5-3-2-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13-14H2,1H3,(H,20,23)
InChIKeyMYNQIJSZBTXLPL-UHFFFAOYSA-N
XLogP2.81
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
N-(2-amino-1-cyclohexylethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 119591544
N-[4-(cyclohexylmethoxy)phenyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 60608370
1-[3-(methylamino)piperidin-1-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone;dihydrochloride
CID 119492684
N-[1-(aminomethyl)cyclopentyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 119567768
N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 39601951
N-cyclohexyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032294
2-[1-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]cyclobutyl]acetic acid
CID 120522002
N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030705
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30889458
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (CID 34366434) is N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is MYNQIJSZBTXLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-26(24,25)14-18-21-16-11-7-8-12-17(16)22(18)13-19(23)20-15-9-5-3-2-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13-14H2,1H3,(H,20,23).
What are the key properties of N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 377.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 34366434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).