2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide

C17H18N4O2S — CID 3227761

IUPAC2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C17H18N4O2S/c1-23-9-8-18-15(22)11-24-16-7-6-12(10-19-16)17-20-13-4-2-3-5-14(13)21-17/h2-7,10H,8-9,11H2,1H3,(H,18,22)(H,20,21)
InChIKeySQBYOKKXELTDOM-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.48
Rot. Bonds7

About 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide

2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 3227761) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID3227761
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C17H18N4O2S/c1-23-9-8-18-15(22)11-24-16-7-6-12(10-19-16)17-20-13-4-2-3-5-14(13)21-17/h2-7,10H,8-9,11H2,1H3,(H,18,22)(H,20,21)
InChIKeySQBYOKKXELTDOM-UHFFFAOYSA-N
XLogP2.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxyethylsulfanyl)acetamide
CID 39489394
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-[(4R)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
CID 1432809
2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-[(4S)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
CID 1432806
2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20852045
2-[[2-(4-bromophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20852047
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168554991
2-[[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20852039
2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852069
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
CID 21008866
2-[[5-(4-fluorophenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852085

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide (CID 3227761) is 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1.
What is the InChIKey of 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is SQBYOKKXELTDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-23-9-8-18-15(22)11-24-16-7-6-12(10-19-16)17-20-13-4-2-3-5-14(13)21-17/h2-7,10H,8-9,11H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3227761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).