N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride

C17H26Cl2N4OS — CID 120575708

IUPACN-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
SMILESCSCc1nc2ccccc2n1CC(=O)NC1CCCNC1C.Cl.Cl
InChIInChI=1S/C17H24N4OS.2ClH/c1-12-13(7-5-9-18-12)20-17(22)10-21-15-8-4-3-6-14(15)19-16(21)11-23-2;;/h3-4,6,8,12-13,18H,5,7,9-11H2,1-2H3,(H,20,22);2*1H
InChIKeyQQHLWWHFPLOPSF-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.00
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride

N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride (PubChem CID 120575708) has the molecular formula C17H26Cl2N4OS and a molecular weight of 405.40 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
PubChem CID120575708
Molecular FormulaC17H26Cl2N4OS
Molecular Weight405.40 g/mol
Exact Mass404.12
IUPAC NameN-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
SMILESCSCc1nc2ccccc2n1CC(=O)NC1CCCNC1C.Cl.Cl
InChIInChI=1S/C17H24N4OS.2ClH/c1-12-13(7-5-9-18-12)20-17(22)10-21-15-8-4-3-6-14(15)19-16(21)11-23-2;;/h3-4,6,8,12-13,18H,5,7,9-11H2,1-2H3,(H,20,22);2*1H
InChIKeyQQHLWWHFPLOPSF-UHFFFAOYSA-N
XLogP3.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate
CID 11945886
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 119400771
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441759
1-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538713
N-(3-ethoxypropyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51253387
3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119140155
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 51254966
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 120890378
methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55457213
N-(2-amino-2-phenylethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119527782
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 17474003

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride (CID 120575708) is N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride is CSCc1nc2ccccc2n1CC(=O)NC1CCCNC1C.Cl.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The InChIKey is QQHLWWHFPLOPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS.2ClH/c1-12-13(7-5-9-18-12)20-17(22)10-21-15-8-4-3-6-14(15)19-16(21)11-23-2;;/h3-4,6,8,12-13,18H,5,7,9-11H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride has a molecular weight of 405.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120575708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).