2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide

C17H23N3O2S — CID 25161568

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCCn1c(SC(C)C(=O)NCC2CCCO2)nc2ccccc21
InChIInChI=1S/C17H23N3O2S/c1-3-20-15-9-5-4-8-14(15)19-17(20)23-12(2)16(21)18-11-13-7-6-10-22-13/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,18,21)
InChIKeyLGTUJCFNOXATLL-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.83
Rot. Bonds6

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 25161568) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID25161568
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCCn1c(SC(C)C(=O)NCC2CCCO2)nc2ccccc21
InChIInChI=1S/C17H23N3O2S/c1-3-20-15-9-5-4-8-14(15)19-17(20)23-12(2)16(21)18-11-13-7-6-10-22-13/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,18,21)
InChIKeyLGTUJCFNOXATLL-UHFFFAOYSA-N
XLogP2.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (CID 25161568) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is CCn1c(SC(C)C(=O)NCC2CCCO2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is LGTUJCFNOXATLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-20-15-9-5-4-8-14(15)19-17(20)23-12(2)16(21)18-11-13-7-6-10-22-13/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,18,21).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 25161568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).