(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide

C222H265Cl3F12N38O42 — CID 159054876

IUPAC(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)C1=O.Cc1ccccc1N1CCN(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)C1=O.Cc1nc2ccccc2n1CCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC2(CCNCC2)C1.Cc1nc2ccccc2n1CCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.Cc1nc2ccccc2n1CCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCNCC1.O=C(NCCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C28H32ClF3N4O4.C26H28ClF3N4O4.C26H31ClN4O5.C26H29F3N4O4.C24H25F3N4O4.C24H35N5O5.C24H28N4O6.C24H28N4O5.C20H29N5O5/c29-19-10-7-9-18(17-19)21-13-8-16-35(21)26(40)24(38)23(37)25(39)33-14-5-1-2-6-15-36-22-12-4-3-11-20(22)34-27(36)28(30,31)32;27-17-8-5-7-16(15-17)19-11-6-14-33(19)24(38)22(36)21(35)23(37)31-12-3-4-13-34-20-10-2-1-9-18(20)32-25(34)26(28,29)30;1-17-29-20-8-2-3-9-22(20)30(17)13-15-36-14-11-28-25(34)23(32)24(33)26(35)31-12-5-10-21(31)18-6-4-7-19(27)16-18;27-26(28,29)25-31-19-11-5-6-12-20(19)33(25)14-8-2-1-7-13-30-23(36)21(34)22(35)24(37)32-15-17-9-3-4-10-18(17)16-32;25-24(26,27)23-29-17-9-3-4-10-18(17)31(23)12-6-5-11-28-21(34)19(32)20(33)22(35)30-13-15-7-1-2-8-16(15)14-30;1-17-27-18-4-2-3-5-19(18)29(17)13-15-34-14-11-26-22(32)20(30)21(31)23(33)28-12-8-24(16-28)6-9-25-10-7-24;1-34-19-9-5-4-8-18(19)28-13-12-26(24(28)33)11-10-25-22(31)20(29)21(30)23(32)27-14-16-6-2-3-7-17(16)15-27;1-16-6-2-5-9-19(16)28-13-12-26(24(28)33)11-10-25-22(31)20(29)21(30)23(32)27-14-17-7-3-4-8-18(17)15-27;1-14-23-15-4-2-3-5-16(15)25(14)11-13-30-12-8-22-19(28)17(26)18(27)20(29)24-9-6-21-7-10-24/h3-4,7,9-12,17,21,23-24,37-38H,1-2,5-6,8,13-16H2,(H,33,39);1-2,5,7-10,15,19,21-22,35-36H,3-4,6,11-14H2,(H,31,37);2-4,6-9,16,21,23-24,32-33H,5,10-15H2,1H3,(H,28,34);3-6,9-12,21-22,34-35H,1-2,7-8,13-16H2,(H,30,36);1-4,7-10,19-20,32-33H,5-6,11-14H2,(H,28,34);2-5,20-21,25,30-31H,6-16H2,1H3,(H,26,32);2-9,20-21,29-30H,10-15H2,1H3,(H,25,31);2-9,20-21,29-30H,10-15H2,1H3,(H,25,31);2-5,17-18,21,26-27H,6-13H2,1H3,(H,22,28)/t21?,23-,24-;19?,21-,22-;21-,23-,24-;21-,22-;19-,20-;3*20-,21-;17-,18-/m111111111/s1
InChIKeyJXSQSVONRTYKLB-SRKJBQPSSA-N
MW4472.12 g/mol
LogP14.96
Rot. Bonds81

About (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide

(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide (PubChem CID 159054876) has the molecular formula C222H265Cl3F12N38O42 and a molecular weight of 4472.12 g/mol. Its IUPAC name is (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide.

Molecular Properties

Compound Name(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide
PubChem CID159054876
Molecular FormulaC222H265Cl3F12N38O42
Molecular Weight4472.12 g/mol
Exact Mass4467.86
IUPAC Name(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)C1=O.Cc1ccccc1N1CCN(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)C1=O.Cc1nc2ccccc2n1CCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC2(CCNCC2)C1.Cc1nc2ccccc2n1CCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.Cc1nc2ccccc2n1CCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCNCC1.O=C(NCCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C28H32ClF3N4O4.C26H28ClF3N4O4.C26H31ClN4O5.C26H29F3N4O4.C24H25F3N4O4.C24H35N5O5.C24H28N4O6.C24H28N4O5.C20H29N5O5/c29-19-10-7-9-18(17-19)21-13-8-16-35(21)26(40)24(38)23(37)25(39)33-14-5-1-2-6-15-36-22-12-4-3-11-20(22)34-27(36)28(30,31)32;27-17-8-5-7-16(15-17)19-11-6-14-33(19)24(38)22(36)21(35)23(37)31-12-3-4-13-34-20-10-2-1-9-18(20)32-25(34)26(28,29)30;1-17-29-20-8-2-3-9-22(20)30(17)13-15-36-14-11-28-25(34)23(32)24(33)26(35)31-12-5-10-21(31)18-6-4-7-19(27)16-18;27-26(28,29)25-31-19-11-5-6-12-20(19)33(25)14-8-2-1-7-13-30-23(36)21(34)22(35)24(37)32-15-17-9-3-4-10-18(17)16-32;25-24(26,27)23-29-17-9-3-4-10-18(17)31(23)12-6-5-11-28-21(34)19(32)20(33)22(35)30-13-15-7-1-2-8-16(15)14-30;1-17-27-18-4-2-3-5-19(18)29(17)13-15-34-14-11-26-22(32)20(30)21(31)23(33)28-12-8-24(16-28)6-9-25-10-7-24;1-34-19-9-5-4-8-18(19)28-13-12-26(24(28)33)11-10-25-22(31)20(29)21(30)23(32)27-14-16-6-2-3-7-17(16)15-27;1-16-6-2-5-9-19(16)28-13-12-26(24(28)33)11-10-25-22(31)20(29)21(30)23(32)27-14-17-7-3-4-8-18(17)15-27;1-14-23-15-4-2-3-5-16(15)25(14)11-13-30-12-8-22-19(28)17(26)18(27)20(29)24-9-6-21-7-10-24/h3-4,7,9-12,17,21,23-24,37-38H,1-2,5-6,8,13-16H2,(H,33,39);1-2,5,7-10,15,19,21-22,35-36H,3-4,6,11-14H2,(H,31,37);2-4,6-9,16,21,23-24,32-33H,5,10-15H2,1H3,(H,28,34);3-6,9-12,21-22,34-35H,1-2,7-8,13-16H2,(H,30,36);1-4,7-10,19-20,32-33H,5-6,11-14H2,(H,28,34);2-5,20-21,25,30-31H,6-16H2,1H3,(H,26,32);2-9,20-21,29-30H,10-15H2,1H3,(H,25,31);2-9,20-21,29-30H,10-15H2,1H3,(H,25,31);2-5,17-18,21,26-27H,6-13H2,1H3,(H,22,28)/t21?,23-,24-;19?,21-,22-;21-,23-,24-;21-,22-;19-,20-;3*20-,21-;17-,18-/m111111111/s1
InChIKeyJXSQSVONRTYKLB-SRKJBQPSSA-N
XLogP14.96
TPSA1041.65 Ų
H-Bond Donors29
H-Bond Acceptors58
Rotatable Bonds81
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004472.12
LogP ≤ 514.96
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1058

Analyze (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide with MolForge

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What is the IUPAC name of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide?
The IUPAC name of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide (CID 159054876) is (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide.
What is the SMILES notation for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide?
The canonical SMILES for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide is COc1ccccc1N1CCN(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)C1=O.Cc1ccccc1N1CCN(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)C1=O.Cc1nc2ccccc2n1CCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC2(CCNCC2)C1.Cc1nc2ccccc2n1CCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.Cc1nc2ccccc2n1CCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCNCC1.O=C(NCCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide?
The InChIKey is JXSQSVONRTYKLB-SRKJBQPSSA-N. The full InChI is InChI=1S/C28H32ClF3N4O4.C26H28ClF3N4O4.C26H31ClN4O5.C26H29F3N4O4.C24H25F3N4O4.C24H35N5O5.C24H28N4O6.C24H28N4O5.C20H29N5O5/c29-19-10-7-9-18(17-19)21-13-8-16-35(21)26(40)24(38)23(37)25(39)33-14-5-1-2-6-15-36-22-12-4-3-11-20(22)34-27(36)28(30,31)32;27-17-8-5-7-16(15-17)19-11-6-14-33(19)24(38)22(36)21(35)23(37)31-12-3-4-13-34-20-10-2-1-9-18(20)32-25(34)26(28,29)30;1-17-29-20-8-2-3-9-22(20)30(17)13-15-36-14-11-28-25(34)23(32)24(33)26(35)31-12-5-10-21(31)18-6-4-7-19(27)16-18;27-26(28,29)25-31-19-11-5-6-12-20(19)33(25)14-8-2-1-7-13-30-23(36)21(34)22(35)24(37)32-15-17-9-3-4-10-18(17)16-32;25-24(26,27)23-29-17-9-3-4-10-18(17)31(23)12-6-5-11-28-21(34)19(32)20(33)22(35)30-13-15-7-1-2-8-16(15)14-30;1-17-27-18-4-2-3-5-19(18)29(17)13-15-34-14-11-26-22(32)20(30)21(31)23(33)28-12-8-24(16-28)6-9-25-10-7-24;1-34-19-9-5-4-8-18(19)28-13-12-26(24(28)33)11-10-25-22(31)20(29)21(30)23(32)27-14-16-6-2-3-7-17(16)15-27;1-16-6-2-5-9-19(16)28-13-12-26(24(28)33)11-10-25-22(31)20(29)21(30)23(32)27-14-17-7-3-4-8-18(17)15-27;1-14-23-15-4-2-3-5-16(15)25(14)11-13-30-12-8-22-19(28)17(26)18(27)20(29)24-9-6-21-7-10-24/h3-4,7,9-12,17,21,23-24,37-38H,1-2,5-6,8,13-16H2,(H,33,39);1-2,5,7-10,15,19,21-22,35-36H,3-4,6,11-14H2,(H,31,37);2-4,6-9,16,21,23-24,32-33H,5,10-15H2,1H3,(H,28,34);3-6,9-12,21-22,34-35H,1-2,7-8,13-16H2,(H,30,36);1-4,7-10,19-20,32-33H,5-6,11-14H2,(H,28,34);2-5,20-21,25,30-31H,6-16H2,1H3,(H,26,32);2-9,20-21,29-30H,10-15H2,1H3,(H,25,31);2-9,20-21,29-30H,10-15H2,1H3,(H,25,31);2-5,17-18,21,26-27H,6-13H2,1H3,(H,22,28)/t21?,23-,24-;19?,21-,22-;21-,23-,24-;21-,22-;19-,20-;3*20-,21-;17-,18-/m111111111/s1.
What are the key properties of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide?
(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide has a molecular weight of 4472.12 g/mol, XLogP of 14.96, 81 rotatable bonds, 29 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[2-[3-(2-methylphenyl)-2-oxoimidazolidin-1-yl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethoxy]ethyl]-4-oxo-4-piperazin-1-ylbutanamide is sourced from PubChem (CID 159054876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).