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

C18H19N3O2S — CID 889506

IUPACN-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)[nH]c2c1
InChIInChI=1S/C18H19N3O2S/c1-11-5-4-6-12(2)17(11)21-16(22)10-24-18-19-14-8-7-13(23-3)9-15(14)20-18/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyVDCUNHIFUZHWMY-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.92
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 889506) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID889506
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)[nH]c2c1
InChIInChI=1S/C18H19N3O2S/c1-11-5-4-6-12(2)17(11)21-16(22)10-24-18-19-14-8-7-13(23-3)9-15(14)20-18/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyVDCUNHIFUZHWMY-UHFFFAOYSA-N
XLogP3.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 889506) is N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)[nH]c2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is VDCUNHIFUZHWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-5-4-6-12(2)17(11)21-16(22)10-24-18-19-14-8-7-13(23-3)9-15(14)20-18/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 889506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).