N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

C24H30N4O3S — CID 46662294

IUPACN-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C24H30N4O3S/c1-26(16-19-10-12-20(13-11-19)27-14-6-3-7-15-27)24(29)17-28-22-9-5-4-8-21(22)25-23(28)18-32(2,30)31/h4-5,8-13H,3,6-7,14-18H2,1-2H3
InChIKeyVFSBDRVJBZZGAM-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.23
Rot. Bonds7

About N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (PubChem CID 46662294) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
PubChem CID46662294
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C24H30N4O3S/c1-26(16-19-10-12-20(13-11-19)27-14-6-3-7-15-27)24(29)17-28-22-9-5-4-8-21(22)25-23(28)18-32(2,30)31/h4-5,8-13H,3,6-7,14-18H2,1-2H3
InChIKeyVFSBDRVJBZZGAM-UHFFFAOYSA-N
XLogP3.23
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119656189
1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea
CID 18532598
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 55973405
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30889458
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
methyl 3-[benzyl-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]propanoate
CID 55608393
4-[[[2-(2-ethylbenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38746243
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
(2S)-1-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365503
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone
CID 51250220
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 24551997
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (CID 46662294) is N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21.
What is the InChIKey of N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The InChIKey is VFSBDRVJBZZGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-26(16-19-10-12-20(13-11-19)27-14-6-3-7-15-27)24(29)17-28-22-9-5-4-8-21(22)25-23(28)18-32(2,30)31/h4-5,8-13H,3,6-7,14-18H2,1-2H3.
What are the key properties of N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide has a molecular weight of 454.60 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 46662294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).