2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C17H16N4O2S — CID 4883631

IUPAC2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESN#CCCn1c(SCC(=O)NCc2ccco2)nc2ccccc21
InChIInChI=1S/C17H16N4O2S/c18-8-4-9-21-15-7-2-1-6-14(15)20-17(21)24-12-16(22)19-11-13-5-3-10-23-13/h1-3,5-7,10H,4,9,11-12H2,(H,19,22)
InChIKeyOCVAFUIKYRGZIJ-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.95
Rot. Bonds7

About 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 4883631) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID4883631
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESN#CCCn1c(SCC(=O)NCc2ccco2)nc2ccccc21
InChIInChI=1S/C17H16N4O2S/c18-8-4-9-21-15-7-2-1-6-14(15)20-17(21)24-12-16(22)19-11-13-5-3-10-23-13/h1-3,5-7,10H,4,9,11-12H2,(H,19,22)
InChIKeyOCVAFUIKYRGZIJ-UHFFFAOYSA-N
XLogP2.95
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 4883631) is 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is N#CCCn1c(SCC(=O)NCc2ccco2)nc2ccccc21.
What is the InChIKey of 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OCVAFUIKYRGZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c18-8-4-9-21-15-7-2-1-6-14(15)20-17(21)24-12-16(22)19-11-13-5-3-10-23-13/h1-3,5-7,10H,4,9,11-12H2,(H,19,22).
What are the key properties of 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4883631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).