2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide

C159H186Cl4F3N23O24 — CID 173059126

IUPAC2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)c(C#N)c1.CC(C)Oc1ccc(C(N)=O)c(C(CCO)Cc2ccc(-c3cn(CC(F)(F)F)c(C(C)(C)O)n3)cc2)c1Cl.CC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)C(C)(C)N)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)c1C#N.CC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)C(C)N)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)c1Cl.CCn1cc(-c2ccc(CC(CNC(=O)CO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)nc1C(C)=O.COCCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)nc1C(C)=O
InChIInChI=1S/C33H38N6O4.C31H36ClN5O4.C28H33ClF3N3O4.C28H33ClN4O5.C28H34ClN3O5.C11H12N2O2/c1-19(2)43-28-13-12-25(30(35)41)29(26(28)16-34)23(17-37-32(42)33(4,5)36)15-21-8-10-22(11-9-21)27-18-39-14-6-7-24(20(3)40)31(39)38-27;1-17(2)41-26-12-11-24(29(34)39)27(28(26)32)22(15-35-31(40)18(3)33)14-20-7-9-21(10-8-20)25-16-37-13-5-6-23(19(4)38)30(37)36-25;1-16(2)39-22-10-9-20(25(33)37)23(24(22)29)19(11-12-36)13-17-5-7-18(8-6-17)21-14-35(15-28(30,31)32)26(34-21)27(3,4)38;1-5-33-14-22(32-28(33)17(4)35)19-8-6-18(7-9-19)12-20(13-31-24(36)15-34)25-21(27(30)37)10-11-23(26(25)29)38-16(2)3;1-17(2)37-24-10-9-22(27(30)35)25(26(24)29)21(11-13-33)15-19-5-7-20(8-6-19)23-16-32(12-14-36-4)28(31-23)18(3)34;1-7(2)15-9-3-4-10(11(13)14)8(5-9)6-12/h6-14,18-20,23,40H,15,17,36H2,1-5H3,(H2,35,41)(H,37,42);5-13,16-19,22,38H,14-15,33H2,1-4H3,(H2,34,39)(H,35,40);5-10,14,16,19,36,38H,11-13,15H2,1-4H3,(H2,33,37);6-11,14,16,20,34H,5,12-13,15H2,1-4H3,(H2,30,37)(H,31,36);5-10,16-17,21,33H,11-15H2,1-4H3,(H2,30,35);3-5,7H,1-2H3,(H2,13,14)
InChIKeyQXKNMRURFWXEJS-UHFFFAOYSA-N
MW3002.18 g/mol
LogP23.80
Rot. Bonds61

About 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide

2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide (PubChem CID 173059126) has the molecular formula C159H186Cl4F3N23O24 and a molecular weight of 3002.18 g/mol. Its IUPAC name is 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide
PubChem CID173059126
Molecular FormulaC159H186Cl4F3N23O24
Molecular Weight3002.18 g/mol
Exact Mass2998.27
IUPAC Name2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)c(C#N)c1.CC(C)Oc1ccc(C(N)=O)c(C(CCO)Cc2ccc(-c3cn(CC(F)(F)F)c(C(C)(C)O)n3)cc2)c1Cl.CC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)C(C)(C)N)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)c1C#N.CC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)C(C)N)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)c1Cl.CCn1cc(-c2ccc(CC(CNC(=O)CO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)nc1C(C)=O.COCCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)nc1C(C)=O
InChIInChI=1S/C33H38N6O4.C31H36ClN5O4.C28H33ClF3N3O4.C28H33ClN4O5.C28H34ClN3O5.C11H12N2O2/c1-19(2)43-28-13-12-25(30(35)41)29(26(28)16-34)23(17-37-32(42)33(4,5)36)15-21-8-10-22(11-9-21)27-18-39-14-6-7-24(20(3)40)31(39)38-27;1-17(2)41-26-12-11-24(29(34)39)27(28(26)32)22(15-35-31(40)18(3)33)14-20-7-9-21(10-8-20)25-16-37-13-5-6-23(19(4)38)30(37)36-25;1-16(2)39-22-10-9-20(25(33)37)23(24(22)29)19(11-12-36)13-17-5-7-18(8-6-17)21-14-35(15-28(30,31)32)26(34-21)27(3,4)38;1-5-33-14-22(32-28(33)17(4)35)19-8-6-18(7-9-19)12-20(13-31-24(36)15-34)25-21(27(30)37)10-11-23(26(25)29)38-16(2)3;1-17(2)37-24-10-9-22(27(30)35)25(26(24)29)21(11-13-33)15-19-5-7-20(8-6-19)23-16-32(12-14-36-4)28(31-23)18(3)34;1-7(2)15-9-3-4-10(11(13)14)8(5-9)6-12/h6-14,18-20,23,40H,15,17,36H2,1-5H3,(H2,35,41)(H,37,42);5-13,16-19,22,38H,14-15,33H2,1-4H3,(H2,34,39)(H,35,40);5-10,14,16,19,36,38H,11-13,15H2,1-4H3,(H2,33,37);6-11,14,16,20,34H,5,12-13,15H2,1-4H3,(H2,30,37)(H,31,36);5-10,16-17,21,33H,11-15H2,1-4H3,(H2,30,35);3-5,7H,1-2H3,(H2,13,14)
InChIKeyQXKNMRURFWXEJS-UHFFFAOYSA-N
XLogP23.80
TPSA753.65 Ų
H-Bond Donors17
H-Bond Acceptors38
Rotatable Bonds61
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003002.18
LogP ≤ 523.80
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1038

Analyze 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide 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

2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 87335783
2-[1-[4-[2-(1-acetamidopropyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 87336000
N-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;N-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 87336037
2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 87336039
N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 87336275
N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 87336276
N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
CID 87336331
N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 87729306
N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 87729349
3-chloro-N-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 136386344
N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;N-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;N-cyano-4-propan-2-yloxybenzamide
CID 173059125
N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-(2-aminopropanoylamino)-3-[4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 173059133

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide?
The IUPAC name of 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide (CID 173059126) is 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide.
What is the SMILES notation for 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide?
The canonical SMILES for 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(N)=O)c(C#N)c1.CC(C)Oc1ccc(C(N)=O)c(C(CCO)Cc2ccc(-c3cn(CC(F)(F)F)c(C(C)(C)O)n3)cc2)c1Cl.CC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)C(C)(C)N)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)c1C#N.CC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)C(C)N)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)c1Cl.CCn1cc(-c2ccc(CC(CNC(=O)CO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)nc1C(C)=O.COCCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)nc1C(C)=O.
What is the InChIKey of 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide?
The InChIKey is QXKNMRURFWXEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O4.C31H36ClN5O4.C28H33ClF3N3O4.C28H33ClN4O5.C28H34ClN3O5.C11H12N2O2/c1-19(2)43-28-13-12-25(30(35)41)29(26(28)16-34)23(17-37-32(42)33(4,5)36)15-21-8-10-22(11-9-21)27-18-39-14-6-7-24(20(3)40)31(39)38-27;1-17(2)41-26-12-11-24(29(34)39)27(28(26)32)22(15-35-31(40)18(3)33)14-20-7-9-21(10-8-20)25-16-37-13-5-6-23(19(4)38)30(37)36-25;1-16(2)39-22-10-9-20(25(33)37)23(24(22)29)19(11-12-36)13-17-5-7-18(8-6-17)21-14-35(15-28(30,31)32)26(34-21)27(3,4)38;1-5-33-14-22(32-28(33)17(4)35)19-8-6-18(7-9-19)12-20(13-31-24(36)15-34)25-21(27(30)37)10-11-23(26(25)29)38-16(2)3;1-17(2)37-24-10-9-22(27(30)35)25(26(24)29)21(11-13-33)15-19-5-7-20(8-6-19)23-16-32(12-14-36-4)28(31-23)18(3)34;1-7(2)15-9-3-4-10(11(13)14)8(5-9)6-12/h6-14,18-20,23,40H,15,17,36H2,1-5H3,(H2,35,41)(H,37,42);5-13,16-19,22,38H,14-15,33H2,1-4H3,(H2,34,39)(H,35,40);5-10,14,16,19,36,38H,11-13,15H2,1-4H3,(H2,33,37);6-11,14,16,20,34H,5,12-13,15H2,1-4H3,(H2,30,37)(H,31,36);5-10,16-17,21,33H,11-15H2,1-4H3,(H2,30,35);3-5,7H,1-2H3,(H2,13,14).
What are the key properties of 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide?
2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide has a molecular weight of 3002.18 g/mol, XLogP of 23.80, 61 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-3-[(2-hydroxyacetyl)amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[4-[2-acetyl-1-(2-methoxyethyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;2-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-2-[4-hydroxy-1-[4-[2-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;2-cyano-4-propan-2-yloxybenzamide is sourced from PubChem (CID 173059126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).