N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

C22H27N3O3S — CID 112800383

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCOc1cc(C)c(CN(C)C(=O)Cn2c(CSC)nc3ccccc32)cc1OC
InChIInChI=1S/C22H27N3O3S/c1-15-10-19(27-3)20(28-4)11-16(15)12-24(2)22(26)13-25-18-9-7-6-8-17(18)23-21(25)14-29-5/h6-11H,12-14H2,1-5H3
InChIKeyOVVYQTARMQWCDI-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.88
Rot. Bonds8

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 112800383) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID112800383
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCOc1cc(C)c(CN(C)C(=O)Cn2c(CSC)nc3ccccc32)cc1OC
InChIInChI=1S/C22H27N3O3S/c1-15-10-19(27-3)20(28-4)11-16(15)12-24(2)22(26)13-25-18-9-7-6-8-17(18)23-21(25)14-29-5/h6-11H,12-14H2,1-5H3
InChIKeyOVVYQTARMQWCDI-UHFFFAOYSA-N
XLogP3.88
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015453
N-methoxy-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015440
3-[methyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119232506
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119653244
N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015449
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17474837
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119582009
N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 52526747
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994269
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 17496098
N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55439304

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 112800383) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is COc1cc(C)c(CN(C)C(=O)Cn2c(CSC)nc3ccccc32)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is OVVYQTARMQWCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-15-10-19(27-3)20(28-4)11-16(15)12-24(2)22(26)13-25-18-9-7-6-8-17(18)23-21(25)14-29-5/h6-11H,12-14H2,1-5H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 413.54 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 112800383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).