N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine

C18H12ClF3N4 — CID 59333340

IUPACN-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine
SMILESFC(F)(F)c1cc2nc(Cl)c3nccn3c2cc1NCc1ccccc1
InChIInChI=1S/C18H12ClF3N4/c19-16-17-23-6-7-26(17)15-9-13(24-10-11-4-2-1-3-5-11)12(18(20,21)22)8-14(15)25-16/h1-9,24H,10H2
InChIKeyUTBYDNQNMREITF-UHFFFAOYSA-N
MW376.77 g/mol
LogP5.17
Rot. Bonds3

About N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine

N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine (PubChem CID 59333340) has the molecular formula C18H12ClF3N4 and a molecular weight of 376.77 g/mol. Its IUPAC name is N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine.

Molecular Properties

Compound NameN-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine
PubChem CID59333340
Molecular FormulaC18H12ClF3N4
Molecular Weight376.77 g/mol
Exact Mass376.07
IUPAC NameN-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine
SMILESFC(F)(F)c1cc2nc(Cl)c3nccn3c2cc1NCc1ccccc1
InChIInChI=1S/C18H12ClF3N4/c19-16-17-23-6-7-26(17)15-9-13(24-10-11-4-2-1-3-5-11)12(18(20,21)22)8-14(15)25-16/h1-9,24H,10H2
InChIKeyUTBYDNQNMREITF-UHFFFAOYSA-N
XLogP5.17
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.77
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 53462
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CID 104739
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CID 51371303
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CID 24898732
CID 24898732
CID 9926054
CID 9926054
CID 9813758
CID 9813758
CID 49821469
CID 49821469
CID 24779760
CID 24779760
CID 154686
CID 154686
CID 5329424
CID 5329424
CID 9796523
CID 9796523
CID 10109125
CID 10109125

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine?
The IUPAC name of N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine (CID 59333340) is N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine.
What is the SMILES notation for N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine?
The canonical SMILES for N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine is FC(F)(F)c1cc2nc(Cl)c3nccn3c2cc1NCc1ccccc1.
What is the InChIKey of N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine?
The InChIKey is UTBYDNQNMREITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4/c19-16-17-23-6-7-26(17)15-9-13(24-10-11-4-2-1-3-5-11)12(18(20,21)22)8-14(15)25-16/h1-9,24H,10H2.
What are the key properties of N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine?
N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine has a molecular weight of 376.77 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine is sourced from PubChem (CID 59333340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).