N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide

C25H19N5O2 — CID 135779193

IUPACN-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2ccc3c(/C=C/c4cnc[nH]4)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C25H19N5O2/c31-25(17-5-2-1-3-6-17)28-18-7-4-8-20(13-18)32-21-10-11-22-23(29-30-24(22)14-21)12-9-19-15-26-16-27-19/h1-16H,(H,26,27)(H,28,31)(H,29,30)/b12-9+
InChIKeyAVEPZQPLJXFMDL-FMIVXFBMSA-N
MW421.46 g/mol
LogP5.50
Rot. Bonds6

About N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide

N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide (PubChem CID 135779193) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
PubChem CID135779193
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC NameN-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2ccc3c(/C=C/c4cnc[nH]4)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C25H19N5O2/c31-25(17-5-2-1-3-6-17)28-18-7-4-8-20(13-18)32-21-10-11-22-23(29-30-24(22)14-21)12-9-19-15-26-16-27-19/h1-16H,(H,26,27)(H,28,31)(H,29,30)/b12-9+
InChIKeyAVEPZQPLJXFMDL-FMIVXFBMSA-N
XLogP5.50
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The IUPAC name of N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide (CID 135779193) is N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The canonical SMILES for N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide is O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cnc[nH]4)n[nH]c3c2)c1)c1ccccc1.
What is the InChIKey of N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The InChIKey is AVEPZQPLJXFMDL-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H19N5O2/c31-25(17-5-2-1-3-6-17)28-18-7-4-8-20(13-18)32-21-10-11-22-23(29-30-24(22)14-21)12-9-19-15-26-16-27-19/h1-16H,(H,26,27)(H,28,31)(H,29,30)/b12-9+.
What are the key properties of N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide has a molecular weight of 421.46 g/mol, XLogP of 5.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide is sourced from PubChem (CID 135779193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).