2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide

C23H20N4O2S — CID 21177802

IUPAC2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
SMILESO=C(CSc1nc2ccccc2n1CC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C23H20N4O2S/c28-21(24-17-9-3-1-4-10-17)15-27-20-14-8-7-13-19(20)26-23(27)30-16-22(29)25-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,28)(H,25,29)
InChIKeyNKSVADJBDVSUQB-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.41
Rot. Bonds7

About 2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide

2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide (PubChem CID 21177802) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
PubChem CID21177802
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
SMILESO=C(CSc1nc2ccccc2n1CC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C23H20N4O2S/c28-21(24-17-9-3-1-4-10-17)15-27-20-14-8-7-13-19(20)26-23(27)30-16-22(29)25-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,28)(H,25,29)
InChIKeyNKSVADJBDVSUQB-UHFFFAOYSA-N
XLogP4.41
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
CID 25330591
2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17027908
N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347549
N-(3,5-dimethoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347508
2-(2-aminobenzimidazol-1-yl)-N-phenylacetamide
CID 82358872
2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46347596
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
CID 18279761
2-[1-[2-(methylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 43310650
2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 46347555
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide (CID 21177802) is 2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide is O=C(CSc1nc2ccccc2n1CC(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide?
The InChIKey is NKSVADJBDVSUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-21(24-17-9-3-1-4-10-17)15-27-20-14-8-7-13-19(20)26-23(27)30-16-22(29)25-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,28)(H,25,29).
What are the key properties of 2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide?
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide has a molecular weight of 416.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 21177802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).