3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide

C18H19N3O2S — CID 46689209

IUPAC3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCCOc1ccc(-n2c(SCCC(N)=O)nc3ccccc32)cc1
InChIInChI=1S/C18H19N3O2S/c1-2-23-14-9-7-13(8-10-14)21-16-6-4-3-5-15(16)20-18(21)24-12-11-17(19)22/h3-10H,2,11-12H2,1H3,(H2,19,22)
InChIKeyBDFUWYWPJRJDDR-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.39
Rot. Bonds7

About 3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide

3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 46689209) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID46689209
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCCOc1ccc(-n2c(SCCC(N)=O)nc3ccccc32)cc1
InChIInChI=1S/C18H19N3O2S/c1-2-23-14-9-7-13(8-10-14)21-16-6-4-3-5-15(16)20-18(21)24-12-11-17(19)22/h3-10H,2,11-12H2,1H3,(H2,19,22)
InChIKeyBDFUWYWPJRJDDR-UHFFFAOYSA-N
XLogP3.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of 3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide (CID 46689209) is 3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for 3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for 3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide is CCOc1ccc(-n2c(SCCC(N)=O)nc3ccccc32)cc1.
What is the InChIKey of 3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is BDFUWYWPJRJDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-23-14-9-7-13(8-10-14)21-16-6-4-3-5-15(16)20-18(21)24-12-11-17(19)22/h3-10H,2,11-12H2,1H3,(H2,19,22).
What are the key properties of 3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 341.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 46689209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).