N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide

C24H23N3OS — CID 7855874

IUPACN-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccccc32)cc1
InChIInChI=1S/C24H23N3OS/c1-16-11-13-19(14-12-16)27-22-10-5-4-8-21(22)26-24(27)29-15-23(28)25-20-9-6-7-17(2)18(20)3/h4-14H,15H2,1-3H3,(H,25,28)
InChIKeyWWEOJOIQEZVJEF-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.68
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide

N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 7855874) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID7855874
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC NameN-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccccc32)cc1
InChIInChI=1S/C24H23N3OS/c1-16-11-13-19(14-12-16)27-22-10-5-4-8-21(22)26-24(27)29-15-23(28)25-20-9-6-7-17(2)18(20)3/h4-14H,15H2,1-3H3,(H,25,28)
InChIKeyWWEOJOIQEZVJEF-UHFFFAOYSA-N
XLogP5.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 155969389
N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 16532276
N-(2,3-dimethylphenyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 995094
N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
N-(2,3-dimethylphenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4068687
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 3458291
N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 4683236
N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 7855832
2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 7855843
N-(2,3-dimethylphenyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166991

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide (CID 7855874) is N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide is Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccccc32)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is WWEOJOIQEZVJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-16-11-13-19(14-12-16)27-22-10-5-4-8-21(22)26-24(27)29-15-23(28)25-20-9-6-7-17(2)18(20)3/h4-14H,15H2,1-3H3,(H,25,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 401.54 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7855874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).