N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

C13H17N3O2S — CID 84617366

IUPACN,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C13H17N3O2S/c1-3-16(4-2)12(18)8-19-13-14-10-6-5-9(17)7-11(10)15-13/h5-7,17H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyWIQUFKGFHCAYAF-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.23
Rot. Bonds5

About N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 84617366) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID84617366
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C13H17N3O2S/c1-3-16(4-2)12(18)8-19-13-14-10-6-5-9(17)7-11(10)15-13/h5-7,17H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyWIQUFKGFHCAYAF-UHFFFAOYSA-N
XLogP2.23
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 4816437
ethyl N-[2-[ethyl-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate
CID 9197989
2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol
CID 84617398
2-(1H-benzimidazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 1282459
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide
CID 7246760
N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 46995525
2-[3-(dimethylamino)propylsulfanyl]-3H-benzimidazol-5-ol
CID 84617400
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 9198018
2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol
CID 84617418
N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 23849471
N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
CID 20890954

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 84617366) is N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc2ccc(O)cc2[nH]1.
What is the InChIKey of N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is WIQUFKGFHCAYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-16(4-2)12(18)8-19-13-14-10-6-5-9(17)7-11(10)15-13/h5-7,17H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 84617366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).