N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide

C22H26N4O2S — CID 112774742

IUPACN-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc21
InChIInChI=1S/C22H26N4O2S/c1-3-4-7-14-26-20-9-6-5-8-19(20)25-22(26)29-15-21(28)24-18-12-10-17(11-13-18)23-16(2)27/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyXENDFQDLQQYHFG-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.92
Rot. Bonds9

About N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide

N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 112774742) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID112774742
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc21
InChIInChI=1S/C22H26N4O2S/c1-3-4-7-14-26-20-9-6-5-8-19(20)25-22(26)29-15-21(28)24-18-12-10-17(11-13-18)23-16(2)27/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyXENDFQDLQQYHFG-UHFFFAOYSA-N
XLogP4.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.92
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-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 7173153
N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25324095
N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774728
2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 84601695
N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide
CID 3961652
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
CID 18279761
N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 7454990
N-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide
CID 3687181

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide (CID 112774742) is N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide is CCCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc21.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is XENDFQDLQQYHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-3-4-7-14-26-20-9-6-5-8-19(20)25-22(26)29-15-21(28)24-18-12-10-17(11-13-18)23-16(2)27/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 410.54 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 112774742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).