N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide

C17H13BrF3N3OS — CID 170092848

IUPACN-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide
SMILESCCSc1c(NC(=O)c2ccc(C(F)(F)F)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C17H13BrF3N3OS/c1-2-26-16-14(22-13-8-7-12(18)9-24(13)16)23-15(25)10-3-5-11(6-4-10)17(19,20)21/h3-9H,2H2,1H3,(H,23,25)
InChIKeyBGOIZTPMRLNYKF-UHFFFAOYSA-N
MW444.28 g/mol
LogP5.48
Rot. Bonds4

About N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide

N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 170092848) has the molecular formula C17H13BrF3N3OS and a molecular weight of 444.28 g/mol. Its IUPAC name is N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID170092848
Molecular FormulaC17H13BrF3N3OS
Molecular Weight444.28 g/mol
Exact Mass442.99
IUPAC NameN-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide
SMILESCCSc1c(NC(=O)c2ccc(C(F)(F)F)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C17H13BrF3N3OS/c1-2-26-16-14(22-13-8-7-12(18)9-24(13)16)23-15(25)10-3-5-11(6-4-10)17(19,20)21/h3-9H,2H2,1H3,(H,23,25)
InChIKeyBGOIZTPMRLNYKF-UHFFFAOYSA-N
XLogP5.48
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.28
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-5-(trifluoromethyl)benzamide
CID 170092905
6-methyl-N-propyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155560743
3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol
CID 156742112
N-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-4-(trifluoromethyl)benzamide
CID 110734956
N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 25222880
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine
CID 151101401
3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163221579
N-[2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 42881697
6-bromo-2-ethyl-N-[2-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 141476292
4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694129
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide (CID 170092848) is N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide is CCSc1c(NC(=O)c2ccc(C(F)(F)F)cc2)nc2ccc(Br)cn12.
What is the InChIKey of N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is BGOIZTPMRLNYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N3OS/c1-2-26-16-14(22-13-8-7-12(18)9-24(13)16)23-15(25)10-3-5-11(6-4-10)17(19,20)21/h3-9H,2H2,1H3,(H,23,25).
What are the key properties of N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide?
N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 444.28 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 170092848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).