N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide

C25H23N3O2S — CID 18282785

IUPACN-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C25H23N3O2S/c1-18(29)20-11-5-6-12-21(20)26-24(30)17-31-25-27-22-13-7-8-14-23(22)28(25)16-15-19-9-3-2-4-10-19/h2-14H,15-17H2,1H3,(H,26,30)
InChIKeyGOZLCUFGHZFZPX-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.21
Rot. Bonds8

About N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide

N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 18282785) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID18282785
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C25H23N3O2S/c1-18(29)20-11-5-6-12-21(20)26-24(30)17-31-25-27-22-13-7-8-14-23(22)28(25)16-15-19-9-3-2-4-10-19/h2-14H,15-17H2,1H3,(H,26,30)
InChIKeyGOZLCUFGHZFZPX-UHFFFAOYSA-N
XLogP5.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 7043408
N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 4850532
2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 7173153
N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40608287
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
N-(3,5-dichloro-2-pyridinyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 4574320
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3886388
N-(2-methylpropyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 16518058
2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3955945
N-(2-acetylphenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488352
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 7309454
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide (CID 18282785) is N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide is CC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is GOZLCUFGHZFZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-18(29)20-11-5-6-12-21(20)26-24(30)17-31-25-27-22-13-7-8-14-23(22)28(25)16-15-19-9-3-2-4-10-19/h2-14H,15-17H2,1H3,(H,26,30).
What are the key properties of N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 429.55 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 18282785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).