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

C14H19N3OS — CID 891266

IUPACN,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C14H19N3OS/c1-4-17(5-2)13(18)9-19-14-15-11-7-6-10(3)8-12(11)16-14/h6-8H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyBXMKPSYLZXIPTE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.83
Rot. Bonds5

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

N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 891266) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID891266
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C14H19N3OS/c1-4-17(5-2)13(18)9-19-14-15-11-7-6-10(3)8-12(11)16-14/h6-8H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyBXMKPSYLZXIPTE-UHFFFAOYSA-N
XLogP2.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 84617366
ethyl N-[2-[ethyl-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate
CID 9197989
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 4816437
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 46995525
N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 23849471
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 9198018
ethyl 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoate
CID 69139924
N-[(2R)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522881
N-[(2S)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522885
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
2-[methyl-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 2522726

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 891266) is N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is BXMKPSYLZXIPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-17(5-2)13(18)9-19-14-15-11-7-6-10(3)8-12(11)16-14/h6-8H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 277.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 891266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).