N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

C23H21N3O3S — CID 5072575

IUPACN-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1OC
InChIInChI=1S/C23H21N3O3S/c1-28-20-13-12-16(14-21(20)29-2)24-22(27)15-30-23-25-18-10-6-7-11-19(18)26(23)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyXOFRWQNUIGQWJJ-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.77
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 5072575) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID5072575
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1OC
InChIInChI=1S/C23H21N3O3S/c1-28-20-13-12-16(14-21(20)29-2)24-22(27)15-30-23-25-18-10-6-7-11-19(18)26(23)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyXOFRWQNUIGQWJJ-UHFFFAOYSA-N
XLogP4.77
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
N-(3,4-dimethoxyphenyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532871
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2468053
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 3620741
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 26931379
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4560229
N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 26888965
N-(4-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16538626
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 8979950
2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 16538608
N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CID 53082605
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 4793899

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (CID 5072575) is N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is XOFRWQNUIGQWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-28-20-13-12-16(14-21(20)29-2)24-22(27)15-30-23-25-18-10-6-7-11-19(18)26(23)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 419.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 5072575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).