(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine

C67H52N16O2 — CID 159065492

IUPAC(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine
SMILESNc1nc2ccccc2n2cc(-c3ccccc3)nc12.Nc1nc2ccccc2n2cc(C(=O)c3ccccc3)nc12.Nc1nc2ccccc2n2cc(C(O)c3ccccc3)nc12.Nc1nc2ccccc2n2cc(Cc3ccccc3)nc12
InChIInChI=1S/C17H14N4O.C17H12N4O.C17H14N4.C16H12N4/c2*18-16-17-20-13(15(22)11-6-2-1-3-7-11)10-21(17)14-9-5-4-8-12(14)19-16;18-16-17-19-13(10-12-6-2-1-3-7-12)11-21(17)15-9-5-4-8-14(15)20-16;17-15-16-19-13(11-6-2-1-3-7-11)10-20(16)14-9-5-4-8-12(14)18-15/h1-10,15,22H,(H2,18,19);1-10H,(H2,18,19);1-9,11H,10H2,(H2,18,20);1-10H,(H2,17,18)
InChIKeyJYZREWLHBGWDDG-UHFFFAOYSA-N
MW1113.26 g/mol
LogP11.43
Rot. Bonds7

About (4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine

(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine (PubChem CID 159065492) has the molecular formula C67H52N16O2 and a molecular weight of 1113.26 g/mol. Its IUPAC name is (4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound Name(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine
PubChem CID159065492
Molecular FormulaC67H52N16O2
Molecular Weight1113.26 g/mol
Exact Mass1112.45
IUPAC Name(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine
SMILESNc1nc2ccccc2n2cc(-c3ccccc3)nc12.Nc1nc2ccccc2n2cc(C(=O)c3ccccc3)nc12.Nc1nc2ccccc2n2cc(C(O)c3ccccc3)nc12.Nc1nc2ccccc2n2cc(Cc3ccccc3)nc12
InChIInChI=1S/C17H14N4O.C17H12N4O.C17H14N4.C16H12N4/c2*18-16-17-20-13(15(22)11-6-2-1-3-7-11)10-21(17)14-9-5-4-8-12(14)19-16;18-16-17-19-13(10-12-6-2-1-3-7-12)11-21(17)15-9-5-4-8-14(15)20-16;17-15-16-19-13(11-6-2-1-3-7-11)10-20(16)14-9-5-4-8-12(14)18-15/h1-10,15,22H,(H2,18,19);1-10H,(H2,18,19);1-9,11H,10H2,(H2,18,20);1-10H,(H2,17,18)
InChIKeyJYZREWLHBGWDDG-UHFFFAOYSA-N
XLogP11.43
TPSA262.14 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.26
LogP ≤ 511.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

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Related Compounds

5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;methane
CID 157910930
N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 158844509
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 159757073
2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide
CID 161132258
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 161881478
6-[2-Indol-1-id-7-yl-1-(3-phenylphenyl)benzimidazol-4-yl]-4-phenylpyridine-2-carboxylic acid;platinum
CID 145741700
6-[2-Indol-1-id-7-yl-1-(3-phenylphenyl)benzimidazol-4-yl]pyridine-2-carboxylic acid;platinum
CID 145741742
Iridium;pyridine-2-carboxylic acid;9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole
CID 145754510
9-(Benzimidazol-1-id-2-yl)pyrido[2,3-b]indole;iridium;pyridine-2-carboxylic acid
CID 145754522
4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine
CID 157381492
2,6-dipyridin-2-ylpyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;2-(3-methyl-2H-imidazol-1-yl)pyrazine;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;pentane-2,4-diol;2-pyrazin-2-ylpyrazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine
CID 157510241
2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-7-ol;ethane;(E)-3-phenyl-1-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)prop-2-en-1-one
CID 157795360

Frequently Asked Questions

What is the IUPAC name of (4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine?
The IUPAC name of (4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine (CID 159065492) is (4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for (4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for (4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine is Nc1nc2ccccc2n2cc(-c3ccccc3)nc12.Nc1nc2ccccc2n2cc(C(=O)c3ccccc3)nc12.Nc1nc2ccccc2n2cc(C(O)c3ccccc3)nc12.Nc1nc2ccccc2n2cc(Cc3ccccc3)nc12.
What is the InChIKey of (4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine?
The InChIKey is JYZREWLHBGWDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O.C17H12N4O.C17H14N4.C16H12N4/c2*18-16-17-20-13(15(22)11-6-2-1-3-7-11)10-21(17)14-9-5-4-8-12(14)19-16;18-16-17-19-13(10-12-6-2-1-3-7-12)11-21(17)15-9-5-4-8-14(15)20-16;17-15-16-19-13(11-6-2-1-3-7-11)10-20(16)14-9-5-4-8-12(14)18-15/h1-10,15,22H,(H2,18,19);1-10H,(H2,18,19);1-9,11H,10H2,(H2,18,20);1-10H,(H2,17,18).
What are the key properties of (4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine?
(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine has a molecular weight of 1113.26 g/mol, XLogP of 11.43, 7 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol;(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanone;2-benzylimidazo[1,2-a]quinoxalin-4-amine;2-phenylimidazo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 159065492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).