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

C24H23N3OS — CID 52526747

IUPACN-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
SMILESCSCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3OS/c1-29-18-23-25-21-14-8-9-15-22(21)27(23)17-24(28)26(20-12-6-3-7-13-20)16-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3
InChIKeyURUPZHDPUYKPEX-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.13
Rot. Bonds7

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

N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide (PubChem CID 52526747) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
PubChem CID52526747
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC NameN-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
SMILESCSCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3OS/c1-29-18-23-25-21-14-8-9-15-22(21)27(23)17-24(28)26(20-12-6-3-7-13-20)16-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3
InChIKeyURUPZHDPUYKPEX-UHFFFAOYSA-N
XLogP5.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558
N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015449
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-[(2-chlorophenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015453
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-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55439304
N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
CID 34179937
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015482
1-(4-benzylpiperidin-1-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 32977619
3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119140155

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide (CID 52526747) is N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide is CSCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide?
The InChIKey is URUPZHDPUYKPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-29-18-23-25-21-14-8-9-15-22(21)27(23)17-24(28)26(20-12-6-3-7-13-20)16-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3.
What are the key properties of N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide?
N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide has a molecular weight of 401.54 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 52526747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).