N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride

C21H28Cl2N4OS — CID 119643073

IUPACN-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccccc1SCc1cn2ccccc2n1.Cl.Cl
InChIInChI=1S/C21H26N4OS.2ClH/c1-3-21(22,4-2)15-23-20(26)17-9-5-6-10-18(17)27-14-16-13-25-12-8-7-11-19(25)24-16;;/h5-13H,3-4,14-15,22H2,1-2H3,(H,23,26);2*1H
InChIKeyNHXJGDCJOBVATB-UHFFFAOYSA-N
MW455.46 g/mol
LogP4.72
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride (PubChem CID 119643073) has the molecular formula C21H28Cl2N4OS and a molecular weight of 455.46 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
PubChem CID119643073
Molecular FormulaC21H28Cl2N4OS
Molecular Weight455.46 g/mol
Exact Mass454.14
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccccc1SCc1cn2ccccc2n1.Cl.Cl
InChIInChI=1S/C21H26N4OS.2ClH/c1-3-21(22,4-2)15-23-20(26)17-9-5-6-10-18(17)27-14-16-13-25-12-8-7-11-19(25)24-16;;/h5-13H,3-4,14-15,22H2,1-2H3,(H,23,26);2*1H
InChIKeyNHXJGDCJOBVATB-UHFFFAOYSA-N
XLogP4.72
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119629702
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CID 119642980
N-[2-(ethylamino)-2-oxoethyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78886751
N-(2-amino-2-ethylbutyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119639792
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
CID 119639859
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 31405985
N-(1-hydroxypropan-2-yl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78857402
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 35707164
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide
CID 167974368
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 55910320
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride (CID 119643073) is N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride is CCC(N)(CC)CNC(=O)c1ccccc1SCc1cn2ccccc2n1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The InChIKey is NHXJGDCJOBVATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS.2ClH/c1-3-21(22,4-2)15-23-20(26)17-9-5-6-10-18(17)27-14-16-13-25-12-8-7-11-19(25)24-16;;/h5-13H,3-4,14-15,22H2,1-2H3,(H,23,26);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride has a molecular weight of 455.46 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride is sourced from PubChem (CID 119643073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).