N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide

C57H53N9O5Si — CID 158562823

IUPACN-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
SMILESC[Si](C)(C)CCOCn1cnc(/C=C/c2n[nH]c3cc(Oc4cccc(NC(=O)c5ccccc5)c4)ccc23)c1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cnc[nH]4)c[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C31H33N5O3Si.C26H20N4O2/c1-40(2,3)17-16-38-22-36-20-25(32-21-36)12-15-29-28-14-13-27(19-30(28)35-34-29)39-26-11-7-10-24(18-26)33-31(37)23-8-5-4-6-9-23;31-26(18-5-2-1-3-6-18)30-20-7-4-8-22(13-20)32-23-11-12-24-19(15-28-25(24)14-23)9-10-21-16-27-17-29-21/h4-15,18-21H,16-17,22H2,1-3H3,(H,33,37)(H,34,35);1-17,28H,(H,27,29)(H,30,31)/b15-12+;10-9+
InChIKeyHRCDWFIEPLTJRJ-CQJJBVRTSA-N
MW972.20 g/mol
LogP13.39
Rot. Bonds17

About N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide

N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide (PubChem CID 158562823) has the molecular formula C57H53N9O5Si and a molecular weight of 972.20 g/mol. Its IUPAC name is N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
PubChem CID158562823
Molecular FormulaC57H53N9O5Si
Molecular Weight972.20 g/mol
Exact Mass971.39
IUPAC NameN-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
SMILESC[Si](C)(C)CCOCn1cnc(/C=C/c2n[nH]c3cc(Oc4cccc(NC(=O)c5ccccc5)c4)ccc23)c1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cnc[nH]4)c[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C31H33N5O3Si.C26H20N4O2/c1-40(2,3)17-16-38-22-36-20-25(32-21-36)12-15-29-28-14-13-27(19-30(28)35-34-29)39-26-11-7-10-24(18-26)33-31(37)23-8-5-4-6-9-23;31-26(18-5-2-1-3-6-18)30-20-7-4-8-22(13-20)32-23-11-12-24-19(15-28-25(24)14-23)9-10-21-16-27-17-29-21/h4-15,18-21H,16-17,22H2,1-3H3,(H,33,37)(H,34,35);1-17,28H,(H,27,29)(H,30,31)/b15-12+;10-9+
InChIKeyHRCDWFIEPLTJRJ-CQJJBVRTSA-N
XLogP13.39
TPSA176.86 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.20
LogP ≤ 513.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide with MolForge

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Related Compounds

N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 67552693
N-[3-[[3-[2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 69373493
1,5-dimethyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 22978009
2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
CID 134133199
N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide
CID 143770344
2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide
CID 20781374
6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 134135011
1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea
CID 54765950
N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
CID 69370068
2-chloro-6-methyl-N-[3-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide
CID 91541232
N-[3-[[3-[2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide
CID 69370278
2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide
CID 91407920

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The IUPAC name of N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide (CID 158562823) is N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-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-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The canonical SMILES for N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide is C[Si](C)(C)CCOCn1cnc(/C=C/c2n[nH]c3cc(Oc4cccc(NC(=O)c5ccccc5)c4)ccc23)c1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cnc[nH]4)c[nH]c3c2)c1)c1ccccc1.
What is the InChIKey of N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
The InChIKey is HRCDWFIEPLTJRJ-CQJJBVRTSA-N. The full InChI is InChI=1S/C31H33N5O3Si.C26H20N4O2/c1-40(2,3)17-16-38-22-36-20-25(32-21-36)12-15-29-28-14-13-27(19-30(28)35-34-29)39-26-11-7-10-24(18-26)33-31(37)23-8-5-4-6-9-23;31-26(18-5-2-1-3-6-18)30-20-7-4-8-22(13-20)32-23-11-12-24-19(15-28-25(24)14-23)9-10-21-16-27-17-29-21/h4-15,18-21H,16-17,22H2,1-3H3,(H,33,37)(H,34,35);1-17,28H,(H,27,29)(H,30,31)/b15-12+;10-9+.
What are the key properties of N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide?
N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide has a molecular weight of 972.20 g/mol, XLogP of 13.39, 17 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide is sourced from PubChem (CID 158562823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).