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

C19H24Cl2N4OS — CID 119629702

IUPACN-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)c1ccccc1SCc1cn2ccccc2n1.Cl.Cl
InChIInChI=1S/C19H22N4OS.2ClH/c1-19(2,20)13-21-18(24)15-7-3-4-8-16(15)25-12-14-11-23-10-6-5-9-17(23)22-14;;/h3-11H,12-13,20H2,1-2H3,(H,21,24);2*1H
InChIKeyVJYNKJPAAUMHLJ-UHFFFAOYSA-N
MW427.40 g/mol
LogP3.94
Rot. Bonds6

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

N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride (PubChem CID 119629702) has the molecular formula C19H24Cl2N4OS and a molecular weight of 427.40 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
PubChem CID119629702
Molecular FormulaC19H24Cl2N4OS
Molecular Weight427.40 g/mol
Exact Mass426.10
IUPAC NameN-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)c1ccccc1SCc1cn2ccccc2n1.Cl.Cl
InChIInChI=1S/C19H22N4OS.2ClH/c1-19(2,20)13-21-18(24)15-7-3-4-8-16(15)25-12-14-11-23-10-6-5-9-17(23)22-14;;/h3-11H,12-13,20H2,1-2H3,(H,21,24);2*1H
InChIKeyVJYNKJPAAUMHLJ-UHFFFAOYSA-N
XLogP3.94
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119643073
N-[2-(ethylamino)-2-oxoethyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78886751
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
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
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980
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-(oxan-4-yl)benzamide
CID 154858648
N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31406631
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39674127

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride (CID 119629702) is N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride is CC(C)(N)CNC(=O)c1ccccc1SCc1cn2ccccc2n1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The InChIKey is VJYNKJPAAUMHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS.2ClH/c1-19(2,20)13-21-18(24)15-7-3-4-8-16(15)25-12-14-11-23-10-6-5-9-17(23)22-14;;/h3-11H,12-13,20H2,1-2H3,(H,21,24);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride has a molecular weight of 427.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride is sourced from PubChem (CID 119629702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).