5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile

C198H192N32O11S9 — CID 173228287

IUPAC5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
SMILESCC(C)Cn1c(C(N)=O)c(-c2ccccc2)c2cc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)C3CCCCC3)ccc21.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCCc3cccs3)cc2c1.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.CCCCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.N#Cc1ccc(Cn2cncc2CN(C(=O)C2CCCCC2)c2ccc3sc(C(=O)NCc4cccs4)cc3c2)cc1.N#Cc1ccc(Cn2cncc2CNc2ccc3[nH]c(C(=O)N4CCSCC4)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C38H40N6O2.C33H31N5O2S2.C33H33N5O2S2.C32H31N5O2S2.C31H28N6OS.C31H29N5O2S2/c1-26(2)22-44-34-18-17-31(19-33(34)35(36(44)37(40)45)29-9-5-3-6-10-29)43(38(46)30-11-7-4-8-12-30)24-32-21-41-25-42(32)23-28-15-13-27(20-39)14-16-28;34-17-23-8-10-24(11-9-23)20-37-22-35-18-28(37)21-38(33(40)25-5-2-1-3-6-25)27-12-13-30-26(15-27)16-31(42-30)32(39)36-19-29-7-4-14-41-29;1-2-3-4-5-8-32(39)38(22-28-19-35-23-37(28)21-25-11-9-24(18-34)10-12-25)27-13-14-30-26(16-27)17-31(42-30)33(40)36-20-29-7-6-15-41-29;1-2-3-6-31(38)37(21-27-19-34-22-36(27)20-24-9-7-23(18-33)8-10-24)26-11-12-29-25(16-26)17-30(41-29)32(39)35-14-13-28-5-4-15-40-28;32-17-22-6-8-23(9-7-22)20-37-21-33-18-26(37)19-34-25-10-11-28-27(16-25)29(24-4-2-1-3-5-24)30(35-28)31(38)36-12-14-39-15-13-36;1-2-3-6-30(37)36(20-26-17-33-21-35(26)19-23-9-7-22(16-32)8-10-23)25-11-12-28-24(14-25)15-29(40-28)31(38)34-18-27-5-4-13-39-27/h3,5-6,9-10,13-19,21,25-26,30H,4,7-8,11-12,22-24H2,1-2H3,(H2,40,45);4,7-16,18,22,25H,1-3,5-6,19-21H2,(H,36,39);6-7,9-17,19,23H,2-5,8,20-22H2,1H3,(H,36,40);4-5,7-12,15-17,19,22H,2-3,6,13-14,20-21H2,1H3,(H,35,39);1-11,16,18,21,34-35H,12-15,19-20H2;4-5,7-15,17,21H,2-3,6,18-20H2,1H3,(H,34,38)
InChIKeyDKXVYVZNFKAJGV-UHFFFAOYSA-N
MW3484.53 g/mol
LogP41.19
Rot. Bonds62

About 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile

5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 173228287) has the molecular formula C198H192N32O11S9 and a molecular weight of 3484.53 g/mol. Its IUPAC name is 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID173228287
Molecular FormulaC198H192N32O11S9
Molecular Weight3484.53 g/mol
Exact Mass3481.29
IUPAC Name5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
SMILESCC(C)Cn1c(C(N)=O)c(-c2ccccc2)c2cc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)C3CCCCC3)ccc21.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCCc3cccs3)cc2c1.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.CCCCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.N#Cc1ccc(Cn2cncc2CN(C(=O)C2CCCCC2)c2ccc3sc(C(=O)NCc4cccs4)cc3c2)cc1.N#Cc1ccc(Cn2cncc2CNc2ccc3[nH]c(C(=O)N4CCSCC4)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C38H40N6O2.C33H31N5O2S2.C33H33N5O2S2.C32H31N5O2S2.C31H28N6OS.C31H29N5O2S2/c1-26(2)22-44-34-18-17-31(19-33(34)35(36(44)37(40)45)29-9-5-3-6-10-29)43(38(46)30-11-7-4-8-12-30)24-32-21-41-25-42(32)23-28-15-13-27(20-39)14-16-28;34-17-23-8-10-24(11-9-23)20-37-22-35-18-28(37)21-38(33(40)25-5-2-1-3-6-25)27-12-13-30-26(15-27)16-31(42-30)32(39)36-19-29-7-4-14-41-29;1-2-3-4-5-8-32(39)38(22-28-19-35-23-37(28)21-25-11-9-24(18-34)10-12-25)27-13-14-30-26(16-27)17-31(42-30)33(40)36-20-29-7-6-15-41-29;1-2-3-6-31(38)37(21-27-19-34-22-36(27)20-24-9-7-23(18-33)8-10-24)26-11-12-29-25(16-26)17-30(41-29)32(39)35-14-13-28-5-4-15-40-28;32-17-22-6-8-23(9-7-22)20-37-21-33-18-26(37)19-34-25-10-11-28-27(16-25)29(24-4-2-1-3-5-24)30(35-28)31(38)36-12-14-39-15-13-36;1-2-3-6-30(37)36(20-26-17-33-21-35(26)19-23-9-7-22(16-32)8-10-23)25-11-12-28-24(14-25)15-29(40-28)31(38)34-18-27-5-4-13-39-27/h3,5-6,9-10,13-19,21,25-26,30H,4,7-8,11-12,22-24H2,1-2H3,(H2,40,45);4,7-16,18,22,25H,1-3,5-6,19-21H2,(H,36,39);6-7,9-17,19,23H,2-5,8,20-22H2,1H3,(H,36,40);4-5,7-12,15-17,19,22H,2-3,6,13-14,20-21H2,1H3,(H,35,39);1-11,16,18,21,34-35H,12-15,19-20H2;4-5,7-15,17,21H,2-3,6,18-20H2,1H3,(H,34,38)
InChIKeyDKXVYVZNFKAJGV-UHFFFAOYSA-N
XLogP41.19
TPSA563.76 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds62
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003484.53
LogP ≤ 541.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile (CID 173228287) is 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile is CC(C)Cn1c(C(N)=O)c(-c2ccccc2)c2cc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)C3CCCCC3)ccc21.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCCc3cccs3)cc2c1.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.CCCCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.N#Cc1ccc(Cn2cncc2CN(C(=O)C2CCCCC2)c2ccc3sc(C(=O)NCc4cccs4)cc3c2)cc1.N#Cc1ccc(Cn2cncc2CNc2ccc3[nH]c(C(=O)N4CCSCC4)c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is DKXVYVZNFKAJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N6O2.C33H31N5O2S2.C33H33N5O2S2.C32H31N5O2S2.C31H28N6OS.C31H29N5O2S2/c1-26(2)22-44-34-18-17-31(19-33(34)35(36(44)37(40)45)29-9-5-3-6-10-29)43(38(46)30-11-7-4-8-12-30)24-32-21-41-25-42(32)23-28-15-13-27(20-39)14-16-28;34-17-23-8-10-24(11-9-23)20-37-22-35-18-28(37)21-38(33(40)25-5-2-1-3-6-25)27-12-13-30-26(15-27)16-31(42-30)32(39)36-19-29-7-4-14-41-29;1-2-3-4-5-8-32(39)38(22-28-19-35-23-37(28)21-25-11-9-24(18-34)10-12-25)27-13-14-30-26(16-27)17-31(42-30)33(40)36-20-29-7-6-15-41-29;1-2-3-6-31(38)37(21-27-19-34-22-36(27)20-24-9-7-23(18-33)8-10-24)26-11-12-29-25(16-26)17-30(41-29)32(39)35-14-13-28-5-4-15-40-28;32-17-22-6-8-23(9-7-22)20-37-21-33-18-26(37)19-34-25-10-11-28-27(16-25)29(24-4-2-1-3-5-24)30(35-28)31(38)36-12-14-39-15-13-36;1-2-3-6-30(37)36(20-26-17-33-21-35(26)19-23-9-7-22(16-32)8-10-23)25-11-12-28-24(14-25)15-29(40-28)31(38)34-18-27-5-4-13-39-27/h3,5-6,9-10,13-19,21,25-26,30H,4,7-8,11-12,22-24H2,1-2H3,(H2,40,45);4,7-16,18,22,25H,1-3,5-6,19-21H2,(H,36,39);6-7,9-17,19,23H,2-5,8,20-22H2,1H3,(H,36,40);4-5,7-12,15-17,19,22H,2-3,6,13-14,20-21H2,1H3,(H,35,39);1-11,16,18,21,34-35H,12-15,19-20H2;4-5,7-15,17,21H,2-3,6,18-20H2,1H3,(H,34,38).
What are the key properties of 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile?
5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 3484.53 g/mol, XLogP of 41.19, 62 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-1-(2-methylpropyl)-3-phenylindole-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;4-[[5-[[[3-phenyl-2-(thiomorpholine-4-carbonyl)-1H-indol-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 173228287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).