N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C18H28Cl2N4OS — CID 119942258

IUPACN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCC(C)n1c(CCNC(=O)CC2CSCCN2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C18H26N4OS.2ClH/c1-13(2)22-16-6-4-3-5-15(16)21-17(22)7-8-20-18(23)11-14-12-24-10-9-19-14;;/h3-6,13-14,19H,7-12H2,1-2H3,(H,20,23);2*1H
InChIKeyWYRSXMWTOMDHHT-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119942258) has the molecular formula C18H28Cl2N4OS and a molecular weight of 419.42 g/mol. Its IUPAC name is N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119942258
Molecular FormulaC18H28Cl2N4OS
Molecular Weight419.42 g/mol
Exact Mass418.14
IUPAC NameN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCC(C)n1c(CCNC(=O)CC2CSCCN2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C18H26N4OS.2ClH/c1-13(2)22-16-6-4-3-5-15(16)21-17(22)7-8-20-18(23)11-14-12-24-10-9-19-14;;/h3-6,13-14,19H,7-12H2,1-2H3,(H,20,23);2*1H
InChIKeyWYRSXMWTOMDHHT-UHFFFAOYSA-N
XLogP3.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942310
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119888858
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940828
3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119888838
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
CID 95773068
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 124860887
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 75490035
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 135639814
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 91821929
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938917

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119942258) is N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is CC(C)n1c(CCNC(=O)CC2CSCCN2)nc2ccccc21.Cl.Cl.
What is the InChIKey of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is WYRSXMWTOMDHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS.2ClH/c1-13(2)22-16-6-4-3-5-15(16)21-17(22)7-8-20-18(23)11-14-12-24-10-9-19-14;;/h3-6,13-14,19H,7-12H2,1-2H3,(H,20,23);2*1H.
What are the key properties of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 419.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119942258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).