2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide

C19H21N3OS — CID 2387242

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H21N3OS/c1-19(2,3)13-8-10-14(11-9-13)20-17(23)12-24-18-21-15-6-4-5-7-16(15)22-18/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyQOVJVHOHBABCMU-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.59
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide (PubChem CID 2387242) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
PubChem CID2387242
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H21N3OS/c1-19(2,3)13-8-10-14(11-9-13)20-17(23)12-24-18-21-15-6-4-5-7-16(15)22-18/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyQOVJVHOHBABCMU-UHFFFAOYSA-N
XLogP4.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
2-(1H-benzimidazol-2-ylsulfanyl)-N'-(4-tert-butylphenyl)sulfonylacetohydrazide
CID 8505426
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
CID 18838038
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
CID 2883797
2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 16539526
N-(4-phenoxyphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide
CID 86282679
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 18193397
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 17246536
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 6459655

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide (CID 2387242) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide is CC(C)(C)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide?
The InChIKey is QOVJVHOHBABCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-19(2,3)13-8-10-14(11-9-13)20-17(23)12-24-18-21-15-6-4-5-7-16(15)22-18/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 2387242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).