2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

C19H21N3O2S — CID 1121410

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c2c1
InChIInChI=1S/C19H21N3O2S/c1-11-7-12(2)18(13(3)8-11)22-17(23)10-25-19-20-15-6-5-14(24-4)9-16(15)21-19/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyAWWMQTUDNLCEDY-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.23
Rot. Bonds5

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 1121410) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID1121410
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c2c1
InChIInChI=1S/C19H21N3O2S/c1-11-7-12(2)18(13(3)8-11)22-17(23)10-25-19-20-15-6-5-14(24-4)9-16(15)21-19/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyAWWMQTUDNLCEDY-UHFFFAOYSA-N
XLogP4.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(r)-Omeprazole
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AG-09/1
CID 3901842
methyl 2-(2-((5-methoxy-1H-benzo(d)imidazol-2-yl)thio)acetamido)benzoate
CID 1002773
2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
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N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1387415
2-[(5-methoxy-1H-benzimidazol-2-yl)thio]acetamide
CID 606455
6-methoxy-2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 702869
5-methoxy-2-phenyl-1H-benzimidazole
CID 745079
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 1399896

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (CID 1121410) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is AWWMQTUDNLCEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-7-12(2)18(13(3)8-11)22-17(23)10-25-19-20-15-6-5-14(24-4)9-16(15)21-19/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 4.23, 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 1121410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).