[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone)

C67H65N9O12 — CID 159826904

IUPAC[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone)
SMILESCOc1cc(C(=O)c2cn(C)c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC.COc1cc(C(=O)c2cn(C)c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC.COc1cc(C(=O)c2cnc(-c3c[nH]c4ccccc34)[nH]2)cc(OC)c1OC
InChIInChI=1S/2C23H23N3O4.C21H19N3O4/c2*1-25-12-16(15-8-6-7-9-18(15)25)23-24-17(13-26(23)2)21(27)14-10-19(28-3)22(30-5)20(11-14)29-4;1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h2*6-13H,1-5H3;4-11,22H,1-3H3,(H,23,24)
InChIKeyNMYMHFPUEGOXNT-UHFFFAOYSA-N
MW1188.31 g/mol
LogP11.49
Rot. Bonds18

About [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone)

[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone) (PubChem CID 159826904) has the molecular formula C67H65N9O12 and a molecular weight of 1188.31 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone).

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone)
PubChem CID159826904
Molecular FormulaC67H65N9O12
Molecular Weight1188.31 g/mol
Exact Mass1187.48
IUPAC Name[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone)
SMILESCOc1cc(C(=O)c2cn(C)c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC.COc1cc(C(=O)c2cn(C)c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC.COc1cc(C(=O)c2cnc(-c3c[nH]c4ccccc34)[nH]2)cc(OC)c1OC
InChIInChI=1S/2C23H23N3O4.C21H19N3O4/c2*1-25-12-16(15-8-6-7-9-18(15)25)23-24-17(13-26(23)2)21(27)14-10-19(28-3)22(30-5)20(11-14)29-4;1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h2*6-13H,1-5H3;4-11,22H,1-3H3,(H,23,24)
InChIKeyNMYMHFPUEGOXNT-UHFFFAOYSA-N
XLogP11.49
TPSA224.25 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001188.31
LogP ≤ 511.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone) with MolForge

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Related Compounds

Sabizabulin
CID 53379371
[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
CID 69038102
[2-(1H-indol-3-yl)-1H-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone
CID 134814244
[2-(4-methyl-1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
CID 138454919
(2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
CID 10441327
[2-[1-(Phenylsulfonyl)-1H-indol-3-yl]-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
CID 66561351
[1-Methyl-2-(1-methyl-1H-indol-3-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
CID 66561352
[2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 67120426
[2-(1H-indol-7-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 67120449
[2-(1H-indol-5-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69039740
(2-imidazol-1-yl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 71546821
2,3-dihydro-1,4-benzodioxin-6-yl-[2-(1H-indol-3-yl)-1H-imidazol-5-yl]methanone
CID 145951645

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone)?
The IUPAC name of [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone) (CID 159826904) is [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone).
What is the SMILES notation for [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone)?
The canonical SMILES for [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone) is COc1cc(C(=O)c2cn(C)c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC.COc1cc(C(=O)c2cn(C)c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC.COc1cc(C(=O)c2cnc(-c3c[nH]c4ccccc34)[nH]2)cc(OC)c1OC.
What is the InChIKey of [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone)?
The InChIKey is NMYMHFPUEGOXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23N3O4.C21H19N3O4/c2*1-25-12-16(15-8-6-7-9-18(15)25)23-24-17(13-26(23)2)21(27)14-10-19(28-3)22(30-5)20(11-14)29-4;1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h2*6-13H,1-5H3;4-11,22H,1-3H3,(H,23,24).
What are the key properties of [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone)?
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone) has a molecular weight of 1188.31 g/mol, XLogP of 11.49, 18 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;bis([1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone) is sourced from PubChem (CID 159826904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).