N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride

C17H26Cl2N4OS — CID 119441759

IUPACN-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
SMILESCSCc1nc2ccccc2n1CC(=O)N(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H24N4OS.2ClH/c1-20(13-7-9-18-10-8-13)17(22)11-21-15-6-4-3-5-14(15)19-16(21)12-23-2;;/h3-6,13,18H,7-12H2,1-2H3;2*1H
InChIKeyFQWRTNZONJHMCT-UHFFFAOYSA-N
MW405.40 g/mol
LogP2.95
Rot. Bonds5

About N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride

N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride (PubChem CID 119441759) has the molecular formula C17H26Cl2N4OS and a molecular weight of 405.40 g/mol. Its IUPAC name is N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
PubChem CID119441759
Molecular FormulaC17H26Cl2N4OS
Molecular Weight405.40 g/mol
Exact Mass404.12
IUPAC NameN-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
SMILESCSCc1nc2ccccc2n1CC(=O)N(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H24N4OS.2ClH/c1-20(13-7-9-18-10-8-13)17(22)11-21-15-6-4-3-5-14(15)19-16(21)12-23-2;;/h3-6,13,18H,7-12H2,1-2H3;2*1H
InChIKeyFQWRTNZONJHMCT-UHFFFAOYSA-N
XLogP2.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 119400771
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119551273
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558
N-methoxy-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015440
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119582009
3-[methyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119232506
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442893
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119653244
N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 120575708
N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 52526747

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride?
The IUPAC name of N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride (CID 119441759) is N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride?
The canonical SMILES for N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride is CSCc1nc2ccccc2n1CC(=O)N(C)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride?
The InChIKey is FQWRTNZONJHMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS.2ClH/c1-20(13-7-9-18-10-8-13)17(22)11-21-15-6-4-3-5-14(15)19-16(21)12-23-2;;/h3-6,13,18H,7-12H2,1-2H3;2*1H.
What are the key properties of N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride?
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride has a molecular weight of 405.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 119441759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).