2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

C17H19N3O2S — CID 17448314

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCCn1c(=O)n(CC(=O)NC(C)c2cccs2)c2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-3-19-13-7-4-5-8-14(13)20(17(19)22)11-16(21)18-12(2)15-9-6-10-23-15/h4-10,12H,3,11H2,1-2H3,(H,18,21)
InChIKeyGREYPVXCRQNSHZ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.76
Rot. Bonds5

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 17448314) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID17448314
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCCn1c(=O)n(CC(=O)NC(C)c2cccs2)c2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-3-19-13-7-4-5-8-14(13)20(17(19)22)11-16(21)18-12(2)15-9-6-10-23-15/h4-10,12H,3,11H2,1-2H3,(H,18,21)
InChIKeyGREYPVXCRQNSHZ-UHFFFAOYSA-N
XLogP2.76
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-(phenylthio)acetamide
CID 25105708
1-[4-[3-(2-Methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25229699
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(phenylsulfanyl)acetamide
CID 6461251
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-(4-fluorophenyl)-2-(1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamide
CID 3498692
N-cyclopentyl-N'-phenyl-N-(2-thienylmethyl)urea
CID 935299
1-(1-(1-(thiophen-3-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49865283
N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 2805668
Pyrrolidine-1,2-dicarboxylic acid 1-phenylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 649454
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230247
N-(2-(4-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)thiophene-3-carboxamide
CID 44438308
N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 4796551

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 17448314) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is CCn1c(=O)n(CC(=O)NC(C)c2cccs2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is GREYPVXCRQNSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-19-13-7-4-5-8-14(13)20(17(19)22)11-16(21)18-12(2)15-9-6-10-23-15/h4-10,12H,3,11H2,1-2H3,(H,18,21).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 17448314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).