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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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).