N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide

C20H26N6O2S — CID 1429303

IUPACN-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide
SMILESCN(C)C(=O)CSc1nnc2n(CC(=O)NC3CCCCC3)c3ccccc3n12
InChIInChI=1S/C20H26N6O2S/c1-24(2)18(28)13-29-20-23-22-19-25(15-10-6-7-11-16(15)26(19)20)12-17(27)21-14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3,(H,21,27)
InChIKeyWXBCAJAANXMRCE-UHFFFAOYSA-N
MW414.54 g/mol
LogP2.31
Rot. Bonds6

About N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide

N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide (PubChem CID 1429303) has the molecular formula C20H26N6O2S and a molecular weight of 414.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide
PubChem CID1429303
Molecular FormulaC20H26N6O2S
Molecular Weight414.54 g/mol
Exact Mass414.18
IUPAC NameN-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide
SMILESCN(C)C(=O)CSc1nnc2n(CC(=O)NC3CCCCC3)c3ccccc3n12
InChIInChI=1S/C20H26N6O2S/c1-24(2)18(28)13-29-20-23-22-19-25(15-10-6-7-11-16(15)26(19)20)12-17(27)21-14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3,(H,21,27)
InChIKeyWXBCAJAANXMRCE-UHFFFAOYSA-N
XLogP2.31
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-2-[1-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide
CID 1429293
ethyl 2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetate
CID 1429272
N-cyclohexyl-2-[1-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide
CID 1429295
N-cyclohexyl-2-(1-methylsulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl)acetamide
CID 1429270
N-cyclohexyl-2-[1-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide
CID 1429279
N-cyclohexyl-2-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide
CID 3227120
N-cyclopentyl-2-[[4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide
CID 3226373
2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N,N-dimethylacetamide
CID 654945
N-cyclopentyl-2-[(8-ethyl-1,8,10,11,13,14-hexazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,12,14-hexaen-12-yl)sulfanyl]acetamide
CID 2772861
N-cyclooctyl-2-[[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 41338785
2-[2-(2-amino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-cyclohexylacetamide
CID 3224652
N-cyclopropyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493452

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide (CID 1429303) is N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide is CN(C)C(=O)CSc1nnc2n(CC(=O)NC3CCCCC3)c3ccccc3n12.
What is the InChIKey of N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide?
The InChIKey is WXBCAJAANXMRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2S/c1-24(2)18(28)13-29-20-23-22-19-25(15-10-6-7-11-16(15)26(19)20)12-17(27)21-14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3,(H,21,27).
What are the key properties of N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide?
N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide has a molecular weight of 414.54 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide is sourced from PubChem (CID 1429303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).