[2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone

C27H23N3O6S — CID 66561351

IUPAC[2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)[nH]2)cc(OC)c1OC
InChIInChI=1S/C27H23N3O6S/c1-34-23-13-17(14-24(35-2)26(23)36-3)25(31)21-15-28-27(29-21)20-16-30(22-12-8-7-11-19(20)22)37(32,33)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,28,29)
InChIKeyYSUUFESTNSJLBW-UHFFFAOYSA-N
MW517.56 g/mol
LogP4.53
Rot. Bonds8

About [2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 66561351) has the molecular formula C27H23N3O6S and a molecular weight of 517.56 g/mol. Its IUPAC name is [2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID66561351
Molecular FormulaC27H23N3O6S
Molecular Weight517.56 g/mol
Exact Mass517.13
IUPAC Name[2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)[nH]2)cc(OC)c1OC
InChIInChI=1S/C27H23N3O6S/c1-34-23-13-17(14-24(35-2)26(23)36-3)25(31)21-15-28-27(29-21)20-16-30(22-12-8-7-11-19(20)22)37(32,33)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,28,29)
InChIKeyYSUUFESTNSJLBW-UHFFFAOYSA-N
XLogP4.53
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

Sabizabulin
CID 53379371
(2-p-tolyl-1H-imidazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CID 49787837
[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
[2-(4-fluorophenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 49787762
[2-(4-Methoxyphenyl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
CID 49787763
[2-[4-(Dimethylamino)phenyl]-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
CID 49787912
[2-(3,4-Dimethoxyphenyl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
CID 49787914
(2-Phenyl-1H-imidazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CID 49788950
[1-Methyl-2-(1-methyl-1H-indol-3-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
CID 66561352
[2-(3-Benzofuranyl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
CID 66561353

Frequently Asked Questions

What is the IUPAC name of [2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 66561351) is [2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cnc(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)[nH]2)cc(OC)c1OC.
What is the InChIKey of [2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YSUUFESTNSJLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O6S/c1-34-23-13-17(14-24(35-2)26(23)36-3)25(31)21-15-28-27(29-21)20-16-30(22-12-8-7-11-19(20)22)37(32,33)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,28,29).
What are the key properties of [2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 517.56 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 66561351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).