N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide

C303H333BrN54O32S — CID 158589711

IUPACN-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide
SMILESC=Cc1cccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)c1.CC(=O)N(C)CCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21.CC(C(=O)N(C)c1ccc2c(c1)nc(NC(=O)c1ccc(Br)cc1)n2CCC(N)=O)c1ccccc1.CCN(CCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21)C(C)=O.CCNCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21.CCc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)cc1.CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccc3)s1)n2CCCN1CCCC1=O.CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCNCCCCC(=O)O.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3c(c1)C(=O)CC3)n2CCCN1CCCC1=O.COCCc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)cc1
InChIInChI=1S/C33H37N5O3S.C32H31N5O4.C32H35N5O4.C31H31N5O3.C31H33N5O3.C30H36N6O4.C30H36N6O3.C29H34N6O3.C28H34N6O2.C27H26BrN5O3/c1-36(31(40)21-23-9-5-6-10-23)25-14-15-27-26(22-25)34-33(38(27)20-8-19-37-18-7-13-30(37)39)35-32(41)29-17-16-28(42-29)24-11-3-2-4-12-24;1-35(31(41)22-7-3-2-4-8-22)24-13-14-27-26(20-24)33-32(37(27)18-6-17-36-16-5-9-29(36)39)34-30(40)23-11-10-21-12-15-28(38)25(21)19-23;1-35(31(40)25-8-4-3-5-9-25)26-15-16-28-27(22-26)33-32(37(28)20-7-19-36-18-6-10-29(36)38)34-30(39)24-13-11-23(12-14-24)17-21-41-2;1-3-22-10-7-13-24(20-22)29(38)33-31-32-26-21-25(34(2)30(39)23-11-5-4-6-12-23)15-16-27(26)36(31)19-9-18-35-17-8-14-28(35)37;1-3-22-12-14-23(15-13-22)29(38)33-31-32-26-21-25(34(2)30(39)24-9-5-4-6-10-24)16-17-27(26)36(31)20-8-19-35-18-7-11-28(35)37;1-35(27(37)18-21-6-2-3-7-21)24-13-14-26-25(19-24)33-30(34-29(40)23-11-9-22(20-31)10-12-23)36(26)17-16-32-15-5-4-8-28(38)39;1-4-35(21(2)37)16-7-17-36-27-15-14-25(34(3)28(38)18-22-8-5-6-9-22)19-26(27)32-30(36)33-29(39)24-12-10-23(20-31)11-13-24;1-20(36)33(2)15-6-16-35-26-14-13-24(34(3)27(37)17-21-7-4-5-8-21)18-25(26)31-29(35)32-28(38)23-11-9-22(19-30)10-12-23;1-3-30-15-6-16-34-25-14-13-23(33(2)26(35)17-20-7-4-5-8-20)18-24(25)31-28(34)32-27(36)22-11-9-21(19-29)10-12-22;1-17(18-6-4-3-5-7-18)26(36)32(2)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-8-10-20(28)11-9-19/h2-4,11-12,14-17,22-23H,5-10,13,18-21H2,1H3,(H,34,35,41);2-4,7-8,10-11,13-14,19-20H,5-6,9,12,15-18H2,1H3,(H,33,34,40);3-5,8-9,11-16,22H,6-7,10,17-21H2,1-2H3,(H,33,34,39);3-7,10-13,15-16,20-21H,1,8-9,14,17-19H2,2H3,(H,32,33,38);4-6,9-10,12-17,21H,3,7-8,11,18-20H2,1-2H3,(H,32,33,38);9-14,19,21,32H,2-8,15-18H2,1H3,(H,38,39)(H,33,34,40);10-15,19,22H,4-9,16-18H2,1-3H3,(H,32,33,39);9-14,18,21H,4-8,15-17H2,1-3H3,(H,31,32,38);9-14,18,20,30H,3-8,15-17H2,1-2H3,(H,31,32,36);3-13,16-17H,14-15H2,1-2H3,(H2,29,34)(H,30,31,35)
InChIKeyHUHHDXBKOYBILI-UHFFFAOYSA-N
MW5355.31 g/mol
LogP49.88
Rot. Bonds97

About N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide

N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide (PubChem CID 158589711) has the molecular formula C303H333BrN54O32S and a molecular weight of 5355.31 g/mol. Its IUPAC name is N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide
PubChem CID158589711
Molecular FormulaC303H333BrN54O32S
Molecular Weight5355.31 g/mol
Exact Mass5350.50
IUPAC NameN-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide
SMILESC=Cc1cccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)c1.CC(=O)N(C)CCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21.CC(C(=O)N(C)c1ccc2c(c1)nc(NC(=O)c1ccc(Br)cc1)n2CCC(N)=O)c1ccccc1.CCN(CCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21)C(C)=O.CCNCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21.CCc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)cc1.CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccc3)s1)n2CCCN1CCCC1=O.CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCNCCCCC(=O)O.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3c(c1)C(=O)CC3)n2CCCN1CCCC1=O.COCCc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)cc1
InChIInChI=1S/C33H37N5O3S.C32H31N5O4.C32H35N5O4.C31H31N5O3.C31H33N5O3.C30H36N6O4.C30H36N6O3.C29H34N6O3.C28H34N6O2.C27H26BrN5O3/c1-36(31(40)21-23-9-5-6-10-23)25-14-15-27-26(22-25)34-33(38(27)20-8-19-37-18-7-13-30(37)39)35-32(41)29-17-16-28(42-29)24-11-3-2-4-12-24;1-35(31(41)22-7-3-2-4-8-22)24-13-14-27-26(20-24)33-32(37(27)18-6-17-36-16-5-9-29(36)39)34-30(40)23-11-10-21-12-15-28(38)25(21)19-23;1-35(31(40)25-8-4-3-5-9-25)26-15-16-28-27(22-26)33-32(37(28)20-7-19-36-18-6-10-29(36)38)34-30(39)24-13-11-23(12-14-24)17-21-41-2;1-3-22-10-7-13-24(20-22)29(38)33-31-32-26-21-25(34(2)30(39)23-11-5-4-6-12-23)15-16-27(26)36(31)19-9-18-35-17-8-14-28(35)37;1-3-22-12-14-23(15-13-22)29(38)33-31-32-26-21-25(34(2)30(39)24-9-5-4-6-10-24)16-17-27(26)36(31)20-8-19-35-18-7-11-28(35)37;1-35(27(37)18-21-6-2-3-7-21)24-13-14-26-25(19-24)33-30(34-29(40)23-11-9-22(20-31)10-12-23)36(26)17-16-32-15-5-4-8-28(38)39;1-4-35(21(2)37)16-7-17-36-27-15-14-25(34(3)28(38)18-22-8-5-6-9-22)19-26(27)32-30(36)33-29(39)24-12-10-23(20-31)11-13-24;1-20(36)33(2)15-6-16-35-26-14-13-24(34(3)27(37)17-21-7-4-5-8-21)18-25(26)31-29(35)32-28(38)23-11-9-22(19-30)10-12-23;1-3-30-15-6-16-34-25-14-13-23(33(2)26(35)17-20-7-4-5-8-20)18-24(25)31-28(34)32-27(36)22-11-9-21(19-29)10-12-22;1-17(18-6-4-3-5-7-18)26(36)32(2)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-8-10-20(28)11-9-19/h2-4,11-12,14-17,22-23H,5-10,13,18-21H2,1H3,(H,34,35,41);2-4,7-8,10-11,13-14,19-20H,5-6,9,12,15-18H2,1H3,(H,33,34,40);3-5,8-9,11-16,22H,6-7,10,17-21H2,1-2H3,(H,33,34,39);3-7,10-13,15-16,20-21H,1,8-9,14,17-19H2,2H3,(H,32,33,38);4-6,9-10,12-17,21H,3,7-8,11,18-20H2,1-2H3,(H,32,33,38);9-14,19,21,32H,2-8,15-18H2,1H3,(H,38,39)(H,33,34,40);10-15,19,22H,4-9,16-18H2,1-3H3,(H,32,33,39);9-14,18,21H,4-8,15-17H2,1-3H3,(H,31,32,38);9-14,18,20,30H,3-8,15-17H2,1-2H3,(H,31,32,36);3-13,16-17H,14-15H2,1-2H3,(H2,29,34)(H,30,31,35)
InChIKeyHUHHDXBKOYBILI-UHFFFAOYSA-N
XLogP49.88
TPSA1040.38 Ų
H-Bond Donors14
H-Bond Acceptors58
Rotatable Bonds97
Heavy Atoms391
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005355.31
LogP ≤ 549.88
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1058

Analyze N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide with MolForge

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What is the IUPAC name of N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide (CID 158589711) is N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide is C=Cc1cccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)c1.CC(=O)N(C)CCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21.CC(C(=O)N(C)c1ccc2c(c1)nc(NC(=O)c1ccc(Br)cc1)n2CCC(N)=O)c1ccccc1.CCN(CCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21)C(C)=O.CCNCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21.CCc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)cc1.CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccc3)s1)n2CCCN1CCCC1=O.CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCNCCCCC(=O)O.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3c(c1)C(=O)CC3)n2CCCN1CCCC1=O.COCCc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)cc1.
What is the InChIKey of N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide?
The InChIKey is HUHHDXBKOYBILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O3S.C32H31N5O4.C32H35N5O4.C31H31N5O3.C31H33N5O3.C30H36N6O4.C30H36N6O3.C29H34N6O3.C28H34N6O2.C27H26BrN5O3/c1-36(31(40)21-23-9-5-6-10-23)25-14-15-27-26(22-25)34-33(38(27)20-8-19-37-18-7-13-30(37)39)35-32(41)29-17-16-28(42-29)24-11-3-2-4-12-24;1-35(31(41)22-7-3-2-4-8-22)24-13-14-27-26(20-24)33-32(37(27)18-6-17-36-16-5-9-29(36)39)34-30(40)23-11-10-21-12-15-28(38)25(21)19-23;1-35(31(40)25-8-4-3-5-9-25)26-15-16-28-27(22-26)33-32(37(28)20-7-19-36-18-6-10-29(36)38)34-30(39)24-13-11-23(12-14-24)17-21-41-2;1-3-22-10-7-13-24(20-22)29(38)33-31-32-26-21-25(34(2)30(39)23-11-5-4-6-12-23)15-16-27(26)36(31)19-9-18-35-17-8-14-28(35)37;1-3-22-12-14-23(15-13-22)29(38)33-31-32-26-21-25(34(2)30(39)24-9-5-4-6-10-24)16-17-27(26)36(31)20-8-19-35-18-7-11-28(35)37;1-35(27(37)18-21-6-2-3-7-21)24-13-14-26-25(19-24)33-30(34-29(40)23-11-9-22(20-31)10-12-23)36(26)17-16-32-15-5-4-8-28(38)39;1-4-35(21(2)37)16-7-17-36-27-15-14-25(34(3)28(38)18-22-8-5-6-9-22)19-26(27)32-30(36)33-29(39)24-12-10-23(20-31)11-13-24;1-20(36)33(2)15-6-16-35-26-14-13-24(34(3)27(37)17-21-7-4-5-8-21)18-25(26)31-29(35)32-28(38)23-11-9-22(19-30)10-12-23;1-3-30-15-6-16-34-25-14-13-23(33(2)26(35)17-20-7-4-5-8-20)18-24(25)31-28(34)32-27(36)22-11-9-21(19-29)10-12-22;1-17(18-6-4-3-5-7-18)26(36)32(2)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-8-10-20(28)11-9-19/h2-4,11-12,14-17,22-23H,5-10,13,18-21H2,1H3,(H,34,35,41);2-4,7-8,10-11,13-14,19-20H,5-6,9,12,15-18H2,1H3,(H,33,34,40);3-5,8-9,11-16,22H,6-7,10,17-21H2,1-2H3,(H,33,34,39);3-7,10-13,15-16,20-21H,1,8-9,14,17-19H2,2H3,(H,32,33,38);4-6,9-10,12-17,21H,3,7-8,11,18-20H2,1-2H3,(H,32,33,38);9-14,19,21,32H,2-8,15-18H2,1H3,(H,38,39)(H,33,34,40);10-15,19,22H,4-9,16-18H2,1-3H3,(H,32,33,39);9-14,18,21H,4-8,15-17H2,1-3H3,(H,31,32,38);9-14,18,20,30H,3-8,15-17H2,1-2H3,(H,31,32,36);3-13,16-17H,14-15H2,1-2H3,(H2,29,34)(H,30,31,35).
What are the key properties of N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide?
N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide has a molecular weight of 5355.31 g/mol, XLogP of 49.88, 97 rotatable bonds, 14 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 158589711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).