2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide

C22H26N4O2S — CID 7173153

IUPAC2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
SMILESCCCCCCn1c(SCC(=O)Nc2ccccc2C(N)=O)nc2ccccc21
InChIInChI=1S/C22H26N4O2S/c1-2-3-4-9-14-26-19-13-8-7-12-18(19)25-22(26)29-15-20(27)24-17-11-6-5-10-16(17)21(23)28/h5-8,10-13H,2-4,9,14-15H2,1H3,(H2,23,28)(H,24,27)
InChIKeyVDZTVQLCWFCGDB-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.45
Rot. Bonds10

About 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide

2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 7173153) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID7173153
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
SMILESCCCCCCn1c(SCC(=O)Nc2ccccc2C(N)=O)nc2ccccc21
InChIInChI=1S/C22H26N4O2S/c1-2-3-4-9-14-26-19-13-8-7-12-18(19)25-22(26)29-15-20(27)24-17-11-6-5-10-16(17)21(23)28/h5-8,10-13H,2-4,9,14-15H2,1H3,(H2,23,28)(H,24,27)
InChIKeyVDZTVQLCWFCGDB-UHFFFAOYSA-N
XLogP4.45
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.45
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

2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 84601695
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 18282785
N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 7043408
N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774728
methyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 7043281
N-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide
CID 3687181
N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
CID 7173108
2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7173082
2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7173080
2-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 19716379
2-benzylsulfanyl-1-heptylbenzimidazole;hydrobromide
CID 2851940

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide (CID 7173153) is 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide is CCCCCCn1c(SCC(=O)Nc2ccccc2C(N)=O)nc2ccccc21.
What is the InChIKey of 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is VDZTVQLCWFCGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-2-3-4-9-14-26-19-13-8-7-12-18(19)25-22(26)29-15-20(27)24-17-11-6-5-10-16(17)21(23)28/h5-8,10-13H,2-4,9,14-15H2,1H3,(H2,23,28)(H,24,27).
What are the key properties of 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide?
2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 7173153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).