N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide

C14H19N3O2S — CID 39489394

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O2S/c1-19-8-9-20-10-14(18)15-7-6-13-16-11-4-2-3-5-12(11)17-13/h2-5H,6-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyXBSWPYOSGHCVMA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.60
Rot. Bonds8

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 39489394) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID39489394
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O2S/c1-19-8-9-20-10-14(18)15-7-6-13-16-11-4-2-3-5-12(11)17-13/h2-5H,6-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyXBSWPYOSGHCVMA-UHFFFAOYSA-N
XLogP1.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole
CID 18811154
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30209739
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
CID 21008986
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide (CID 39489394) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide is COCCSCC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is XBSWPYOSGHCVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-19-8-9-20-10-14(18)15-7-6-13-16-11-4-2-3-5-12(11)17-13/h2-5H,6-10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 39489394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).