2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide

C72H66BrN15O2 — CID 158996348

IUPAC2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCO.Cn1cc(-c2ccccc2)nc1/C=C/c1cccc(Br)n1.Cn1cc(-c2ccccc2)nc1CCc1cccc(C(N)=O)n1.[C-]#[N+]c1cccc(/C=C/c2nc(-c3ccccc3)cn2C)n1.[C-]#[N+]c1cccc(CCc2nc(-c3ccccc3)cn2C)n1
InChIInChI=1S/C18H18N4O.C18H16N4.C18H14N4.C17H14BrN3.CH4O/c1-22-12-16(13-6-3-2-4-7-13)21-17(22)11-10-14-8-5-9-15(20-14)18(19)23;2*1-19-17-10-6-9-15(20-17)11-12-18-21-16(13-22(18)2)14-7-4-3-5-8-14;1-21-12-15(13-6-3-2-4-7-13)20-17(21)11-10-14-8-5-9-16(18)19-14;1-2/h2-9,12H,10-11H2,1H3,(H2,19,23);3-10,13H,11-12H2,2H3;3-13H,2H3;2-12H,1H3;2H,1H3/b;;12-11+;11-10+;
InChIKeyJQUAJFHBLHYCIW-GCLCGDGTSA-N
MW1253.33 g/mol
LogP14.41
Rot. Bonds15

About 2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide

2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 158996348) has the molecular formula C72H66BrN15O2 and a molecular weight of 1253.33 g/mol. Its IUPAC name is 2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID158996348
Molecular FormulaC72H66BrN15O2
Molecular Weight1253.33 g/mol
Exact Mass1251.47
IUPAC Name2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCO.Cn1cc(-c2ccccc2)nc1/C=C/c1cccc(Br)n1.Cn1cc(-c2ccccc2)nc1CCc1cccc(C(N)=O)n1.[C-]#[N+]c1cccc(/C=C/c2nc(-c3ccccc3)cn2C)n1.[C-]#[N+]c1cccc(CCc2nc(-c3ccccc3)cn2C)n1
InChIInChI=1S/C18H18N4O.C18H16N4.C18H14N4.C17H14BrN3.CH4O/c1-22-12-16(13-6-3-2-4-7-13)21-17(22)11-10-14-8-5-9-15(20-14)18(19)23;2*1-19-17-10-6-9-15(20-17)11-12-18-21-16(13-22(18)2)14-7-4-3-5-8-14;1-21-12-15(13-6-3-2-4-7-13)20-17(21)11-10-14-8-5-9-16(18)19-14;1-2/h2-9,12H,10-11H2,1H3,(H2,19,23);3-10,13H,11-12H2,2H3;3-13H,2H3;2-12H,1H3;2H,1H3/b;;12-11+;11-10+;
InChIKeyJQUAJFHBLHYCIW-GCLCGDGTSA-N
XLogP14.41
TPSA194.88 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001253.33
LogP ≤ 514.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide
CID 157230866
2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methane;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 157866811
(3-amino-2-methylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone;(3-amino-2-phenylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone;6-bromo-N,N-diethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide;(3,6-dibromoimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone;(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone;(2-methyl-3-phenylimidazo[1,2-a]pyridin-7-yl)-piperidin-1-ylmethanone;(2-methyl-3-phenylimidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone;(3-methyl-2-phenylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone
CID 158116678
2-Imidazol-1-yl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyridin-4-ylpyridine
CID 158839449
2-imidazol-1-yl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethenyl]pyridine;2-[(E)-2-(5-phenyl-3H-pyrrol-2-yl)ethenyl]pyridine;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]pyridine;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]-4H-quinolin-3-one
CID 160115185
2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)imidazo[1,2-a]pyridine;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;[4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5H-pyrimidin-5-id-2-yl]azanide;carbamimidoylazanide;ethane;pyridin-2-amine;tungsten;bis(yttrium)
CID 160880521
3-(aminomethyl)benzamide;3-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;3-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;3-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;2-methyl-3H-pyrrole
CID 162146634
2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;bis(2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine);methane;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 162151190

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide (CID 158996348) is 2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide is CO.Cn1cc(-c2ccccc2)nc1/C=C/c1cccc(Br)n1.Cn1cc(-c2ccccc2)nc1CCc1cccc(C(N)=O)n1.[C-]#[N+]c1cccc(/C=C/c2nc(-c3ccccc3)cn2C)n1.[C-]#[N+]c1cccc(CCc2nc(-c3ccccc3)cn2C)n1.
What is the InChIKey of 2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is JQUAJFHBLHYCIW-GCLCGDGTSA-N. The full InChI is InChI=1S/C18H18N4O.C18H16N4.C18H14N4.C17H14BrN3.CH4O/c1-22-12-16(13-6-3-2-4-7-13)21-17(22)11-10-14-8-5-9-15(20-14)18(19)23;2*1-19-17-10-6-9-15(20-17)11-12-18-21-16(13-22(18)2)14-7-4-3-5-8-14;1-21-12-15(13-6-3-2-4-7-13)20-17(21)11-10-14-8-5-9-16(18)19-14;1-2/h2-9,12H,10-11H2,1H3,(H2,19,23);3-10,13H,11-12H2,2H3;3-13H,2H3;2-12H,1H3;2H,1H3/b;;12-11+;11-10+;.
What are the key properties of 2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 1253.33 g/mol, XLogP of 14.41, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine;2-isocyano-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine;methanol;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 158996348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).