1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide

C45H36F3N7O2S — CID 151475358

IUPAC1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide
SMILESCNCC1Nc2ccc(-c3c(NS(=O)(=O)c4cn(C5C=Cc6ccccc65)cn4)[nH]c4ccccc34)cc2C1c1[nH]c2ccccc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C45H36F3N7O2S/c1-49-23-37-42(43-40(31-13-4-6-15-34(31)52-43)27-10-8-11-29(21-27)45(46,47)48)33-22-28(17-19-36(33)51-37)41-32-14-5-7-16-35(32)53-44(41)54-58(56,57)39-24-55(25-50-39)38-20-18-26-9-2-3-12-30(26)38/h2-22,24-25,37-38,42,49,51-54H,23H2,1H3
InChIKeyPLIDPCWJEZWZQC-UHFFFAOYSA-N
MW795.89 g/mol
LogP9.76
Rot. Bonds9

About 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide

1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide (PubChem CID 151475358) has the molecular formula C45H36F3N7O2S and a molecular weight of 795.89 g/mol. Its IUPAC name is 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide
PubChem CID151475358
Molecular FormulaC45H36F3N7O2S
Molecular Weight795.89 g/mol
Exact Mass795.26
IUPAC Name1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide
SMILESCNCC1Nc2ccc(-c3c(NS(=O)(=O)c4cn(C5C=Cc6ccccc65)cn4)[nH]c4ccccc34)cc2C1c1[nH]c2ccccc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C45H36F3N7O2S/c1-49-23-37-42(43-40(31-13-4-6-15-34(31)52-43)27-10-8-11-29(21-27)45(46,47)48)33-22-28(17-19-36(33)51-37)41-32-14-5-7-16-35(32)53-44(41)54-58(56,57)39-24-55(25-50-39)38-20-18-26-9-2-3-12-30(26)38/h2-22,24-25,37-38,42,49,51-54H,23H2,1H3
InChIKeyPLIDPCWJEZWZQC-UHFFFAOYSA-N
XLogP9.76
TPSA119.63 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.89
LogP ≤ 59.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 17759407
US10660877, Example 553
CID 134329827
1-[(4-Fluorophenyl)methyl]-3-[1-(1H-imidazole-4-sulfonyl)piperidin-4-YL]-2-methyl-1H-indole
CID 20932576
1-(4-fluorobenzyl)-3-[1-(1H-imidazol-4-ylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole
CID 20932540
N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 58790753
3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 89737593
1-(Benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole
CID 158170397
21,22-dihydroporphyrin;2-(1-methylimidazol-4-yl)sulfonyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 158630510
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
CID 161457176
6-fluoro-3-[[5-[[4-[4-[3-[3-[3-[4-[3-[3-[(4-fluorophenyl)methyl]-5-(4-fluorophenyl)sulfanyl-1,2,4-triazol-4-yl]propyl]-1H-imidazol-2-yl]phenyl]sulfonyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-yl]propyl]-1H-imidazol-2-yl]-3-pyridinyl]sulfanyl]-4-[3-(1H-imidazol-4-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 166927785
N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-1-methyl-1H-imidazole-4-sulfonamide
CID 56866466
21,23-dihydroporphyrin;2-(1-methylimidazol-4-yl)sulfonyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 162622908

Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide?
The IUPAC name of 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide (CID 151475358) is 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide is CNCC1Nc2ccc(-c3c(NS(=O)(=O)c4cn(C5C=Cc6ccccc65)cn4)[nH]c4ccccc34)cc2C1c1[nH]c2ccccc2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide?
The InChIKey is PLIDPCWJEZWZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36F3N7O2S/c1-49-23-37-42(43-40(31-13-4-6-15-34(31)52-43)27-10-8-11-29(21-27)45(46,47)48)33-22-28(17-19-36(33)51-37)41-32-14-5-7-16-35(32)53-44(41)54-58(56,57)39-24-55(25-50-39)38-20-18-26-9-2-3-12-30(26)38/h2-22,24-25,37-38,42,49,51-54H,23H2,1H3.
What are the key properties of 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide?
1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide has a molecular weight of 795.89 g/mol, XLogP of 9.76, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 151475358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).