N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide

C14H19N3O2S — CID 16505804

IUPACN-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1nc2ccccc2n1CCOC
InChIInChI=1S/C14H19N3O2S/c1-3-15-13(18)10-20-14-16-11-6-4-5-7-12(11)17(14)8-9-19-2/h4-7H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyIPKVXXWUKIINAP-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.91
Rot. Bonds7

About N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide

N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 16505804) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID16505804
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1nc2ccccc2n1CCOC
InChIInChI=1S/C14H19N3O2S/c1-3-15-13(18)10-20-14-16-11-6-4-5-7-12(11)17(14)8-9-19-2/h4-7H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyIPKVXXWUKIINAP-UHFFFAOYSA-N
XLogP1.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16505827
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 7043408
N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518005
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
N-(3-chloro-4-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 40926754
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25340406
N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774728
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 41103568
N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 29350465
N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 38836757

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide (CID 16505804) is N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide is CCNC(=O)CSc1nc2ccccc2n1CCOC.
What is the InChIKey of N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is IPKVXXWUKIINAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-15-13(18)10-20-14-16-11-6-4-5-7-12(11)17(14)8-9-19-2/h4-7H,3,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 293.39 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 16505804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).