ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate

C19H25N3O3S — CID 2999522

IUPACethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCCC1)n2CC
InChIInChI=1S/C19H25N3O3S/c1-3-22-16-9-8-14(18(24)25-4-2)12-15(16)20-19(22)26-13-17(23)21-10-6-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyPEAHOBUSIRDLRN-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.34
Rot. Bonds6

About ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate

ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate (PubChem CID 2999522) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate
PubChem CID2999522
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Nameethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCCC1)n2CC
InChIInChI=1S/C19H25N3O3S/c1-3-22-16-9-8-14(18(24)25-4-2)12-15(16)20-19(22)26-13-17(23)21-10-6-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyPEAHOBUSIRDLRN-UHFFFAOYSA-N
XLogP3.34
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate (CID 2999522) is ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCCC1)n2CC.
What is the InChIKey of ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate?
The InChIKey is PEAHOBUSIRDLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-3-22-16-9-8-14(18(24)25-4-2)12-15(16)20-19(22)26-13-17(23)21-10-6-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3.
What are the key properties of ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate?
ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate has a molecular weight of 375.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate is sourced from PubChem (CID 2999522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).