2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide

C17H17N3O2S — CID 1399896

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccccc3C)[nH]c2c1
InChIInChI=1S/C17H17N3O2S/c1-11-5-3-4-6-13(11)18-16(21)10-23-17-19-14-8-7-12(22-2)9-15(14)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJKUVLBAAAGXCKF-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.61
Rot. Bonds5

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 1399896) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID1399896
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccccc3C)[nH]c2c1
InChIInChI=1S/C17H17N3O2S/c1-11-5-3-4-6-13(11)18-16(21)10-23-17-19-14-8-7-12(22-2)9-15(14)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJKUVLBAAAGXCKF-UHFFFAOYSA-N
XLogP3.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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AG-09/1
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Benzimidazole-urea, 46
CID 10141033
methyl N-[6-(4-{[(3-ethylphenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate
CID 10160775
methyl 2-(2-((5-methoxy-1H-benzo(d)imidazol-2-yl)thio)acetamido)benzoate
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N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide
CID 139451799

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide (CID 1399896) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide is COc1ccc2nc(SCC(=O)Nc3ccccc3C)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is JKUVLBAAAGXCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-5-3-4-6-13(11)18-16(21)10-23-17-19-14-8-7-12(22-2)9-15(14)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1399896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).