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

C19H30Cl2N4O2S — CID 120890378

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
SMILESCOCC1(CNC(=O)Cn2c(CSC)nc3ccccc32)CCNCC1.Cl.Cl
InChIInChI=1S/C19H28N4O2S.2ClH/c1-25-14-19(7-9-20-10-8-19)13-21-18(24)11-23-16-6-4-3-5-15(16)22-17(23)12-26-2;;/h3-6,20H,7-14H2,1-2H3,(H,21,24);2*1H
InChIKeyOCOSPDKGIRVXHI-UHFFFAOYSA-N
MW449.45 g/mol
LogP2.88
Rot. Bonds8

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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride (PubChem CID 120890378) has the molecular formula C19H30Cl2N4O2S and a molecular weight of 449.45 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
PubChem CID120890378
Molecular FormulaC19H30Cl2N4O2S
Molecular Weight449.45 g/mol
Exact Mass448.15
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
SMILESCOCC1(CNC(=O)Cn2c(CSC)nc3ccccc32)CCNCC1.Cl.Cl
InChIInChI=1S/C19H28N4O2S.2ClH/c1-25-14-19(7-9-20-10-8-19)13-21-18(24)11-23-16-6-4-3-5-15(16)22-17(23)12-26-2;;/h3-6,20H,7-14H2,1-2H3,(H,21,24);2*1H
InChIKeyOCOSPDKGIRVXHI-UHFFFAOYSA-N
XLogP2.88
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride with MolForge

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Related Compounds

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 119400771
1-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538713
3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119140155
methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-(3-aminobutyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119495678
methyl 2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]-2-phenylacetate
CID 60609912
N-(3-ethoxypropyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51253387
N-[(2-fluorophenyl)methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097813
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 51254966
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441759
N-(2-methylpiperidin-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 120575708
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55457213

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride (CID 120890378) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride is COCC1(CNC(=O)Cn2c(CSC)nc3ccccc32)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The InChIKey is OCOSPDKGIRVXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S.2ClH/c1-25-14-19(7-9-20-10-8-19)13-21-18(24)11-23-16-6-4-3-5-15(16)22-17(23)12-26-2;;/h3-6,20H,7-14H2,1-2H3,(H,21,24);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride has a molecular weight of 449.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120890378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).