2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

C18H18N6OS — CID 51181909

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESCCn1c(SCC(=O)NCc2nnc3ccccn23)nc2ccccc21
InChIInChI=1S/C18H18N6OS/c1-2-23-14-8-4-3-7-13(14)20-18(23)26-12-17(25)19-11-16-22-21-15-9-5-6-10-24(15)16/h3-10H,2,11-12H2,1H3,(H,19,25)
InChIKeyHRUVVPBCFVHEBM-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.51
Rot. Bonds6

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (PubChem CID 51181909) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
PubChem CID51181909
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESCCn1c(SCC(=O)NCc2nnc3ccccn23)nc2ccccc21
InChIInChI=1S/C18H18N6OS/c1-2-23-14-8-4-3-7-13(14)20-18(23)26-12-17(25)19-11-16-22-21-15-9-5-6-10-24(15)16/h3-10H,2,11-12H2,1H3,(H,19,25)
InChIKeyHRUVVPBCFVHEBM-UHFFFAOYSA-N
XLogP2.51
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-(4-methylphenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 40709598
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 112789303
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 110888361
2-(4-bromophenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021117
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480163
3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide
CID 55632429
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 18086685
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 134013981
2-(4-bromo-2-methylphenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021035

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (CID 51181909) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is CCn1c(SCC(=O)NCc2nnc3ccccn23)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is HRUVVPBCFVHEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-2-23-14-8-4-3-7-13(14)20-18(23)26-12-17(25)19-11-16-22-21-15-9-5-6-10-24(15)16/h3-10H,2,11-12H2,1H3,(H,19,25).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 366.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 51181909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).