N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide

C18H19N3OS — CID 36676558

IUPACN-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
SMILESCSCc1nc2ccccc2n1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-20(14-8-4-3-5-9-14)18(22)12-21-16-11-7-6-10-15(16)19-17(21)13-23-2/h3-11H,12-13H2,1-2H3
InChIKeyJWOJRBGTTAJACJ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.56
Rot. Bonds5

About N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide

N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide (PubChem CID 36676558) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
PubChem CID36676558
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
SMILESCSCc1nc2ccccc2n1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-20(14-8-4-3-5-9-14)18(22)12-21-16-11-7-6-10-15(16)19-17(21)13-23-2/h3-11H,12-13H2,1-2H3
InChIKeyJWOJRBGTTAJACJ-UHFFFAOYSA-N
XLogP3.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 52526747
2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16995539
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119582009
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119653244
N-[(2-chlorophenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015453
N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015449
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16997554
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441759
2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 40844394
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015482

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide (CID 36676558) is N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide is CSCc1nc2ccccc2n1CC(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide?
The InChIKey is JWOJRBGTTAJACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-20(14-8-4-3-5-9-14)18(22)12-21-16-11-7-6-10-15(16)19-17(21)13-23-2/h3-11H,12-13H2,1-2H3.
What are the key properties of N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide?
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide has a molecular weight of 325.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 36676558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).