N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride

C21H28Cl2N4OS — CID 119642980

IUPACN-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1.Cl.Cl
InChIInChI=1S/C21H26N4OS.2ClH/c1-3-21(22,4-2)15-23-20(26)16-8-10-18(11-9-16)27-14-17-13-25-12-6-5-7-19(25)24-17;;/h5-13H,3-4,14-15,22H2,1-2H3,(H,23,26);2*1H
InChIKeyOEJCORNHQDNIPM-UHFFFAOYSA-N
MW455.46 g/mol
LogP4.72
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride (PubChem CID 119642980) has the molecular formula C21H28Cl2N4OS and a molecular weight of 455.46 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
PubChem CID119642980
Molecular FormulaC21H28Cl2N4OS
Molecular Weight455.46 g/mol
Exact Mass454.14
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1.Cl.Cl
InChIInChI=1S/C21H26N4OS.2ClH/c1-3-21(22,4-2)15-23-20(26)16-8-10-18(11-9-16)27-14-17-13-25-12-6-5-7-19(25)24-17;;/h5-13H,3-4,14-15,22H2,1-2H3,(H,23,26);2*1H
InChIKeyOEJCORNHQDNIPM-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

N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119643073
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
N-(2-amino-2-ethylbutyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119639792
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
CID 46514327
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
CID 35696945
N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119629702
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)benzamide
CID 35823533
N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134046116
N-[(4-cyanophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134035536

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride (CID 119642980) is N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride is CCC(N)(CC)CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The InChIKey is OEJCORNHQDNIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS.2ClH/c1-3-21(22,4-2)15-23-20(26)16-8-10-18(11-9-16)27-14-17-13-25-12-6-5-7-19(25)24-17;;/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)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-4-(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)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride is sourced from PubChem (CID 119642980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).