2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide

C16H22N4O3S — CID 16505827

IUPAC2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC
InChIInChI=1S/C16H22N4O3S/c1-3-8-17-15(22)19-14(21)11-24-16-18-12-6-4-5-7-13(12)20(16)9-10-23-2/h4-7H,3,8-11H2,1-2H3,(H2,17,19,21,22)
InChIKeyIEUUUTMUTVIYDE-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.01
Rot. Bonds8

About 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide

2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide (PubChem CID 16505827) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
PubChem CID16505827
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC
InChIInChI=1S/C16H22N4O3S/c1-3-8-17-15(22)19-14(21)11-24-16-18-12-6-4-5-7-13(12)20(16)9-10-23-2/h4-7H,3,8-11H2,1-2H3,(H2,17,19,21,22)
InChIKeyIEUUUTMUTVIYDE-UHFFFAOYSA-N
XLogP2.01
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774728
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 7043408
N-(3-chloro-4-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 40926754
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 41103568
N-(butylcarbamoyl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 27361380
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 4814186
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16500021
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25340406

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide (CID 16505827) is 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC.
What is the InChIKey of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide?
The InChIKey is IEUUUTMUTVIYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-3-8-17-15(22)19-14(21)11-24-16-18-12-6-4-5-7-13(12)20(16)9-10-23-2/h4-7H,3,8-11H2,1-2H3,(H2,17,19,21,22).
What are the key properties of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide?
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide has a molecular weight of 350.44 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 16505827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).