(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C167H180Cl5N17O11S5 — CID 158291833

IUPAC(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C(C)C)n4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C)n4C(C)C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4nc(C)n(C5CCN(C)CC5)c4c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4nc(C)n(C5CCOCC5)c4c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4ncn(C5CCN(C)CC5)c4c3)sc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C35H39ClN4O2S.C34H37ClN4O2S.C34H36ClN3O3S.2C32H34ClN3O2S/c1-20-18-28-33(31(23-8-11-25(36)12-9-23)30(20)32(21(2)41)42-35(4,5)6)43-34(38-28)24-10-13-27-29(19-24)40(22(3)37-27)26-14-16-39(7)17-15-26;1-20-17-27-32(30(22-7-10-24(35)11-8-22)29(20)31(21(2)40)41-34(3,4)5)42-33(37-27)23-9-12-26-28(18-23)39(19-36-26)25-13-15-38(6)16-14-25;1-19-17-27-32(30(22-7-10-24(35)11-8-22)29(19)31(20(2)39)41-34(4,5)6)42-33(37-27)23-9-12-26-28(18-23)38(21(3)36-26)25-13-15-40-16-14-25;1-17(2)30-34-23-16-21(11-14-25(23)36(30)8)31-35-24-15-18(3)26(28(19(4)37)38-32(5,6)7)27(29(24)39-31)20-9-12-22(33)13-10-20;1-17(2)36-20(5)34-24-16-22(11-14-26(24)36)31-35-25-15-18(3)27(29(19(4)37)38-32(6,7)8)28(30(25)39-31)21-9-12-23(33)13-10-21/h8-13,18-19,26,32H,14-17H2,1-7H3;7-12,17-19,25,31H,13-16H2,1-6H3;7-12,17-18,25,31H,13-16H2,1-6H3;9-17,28H,1-8H3;9-17,29H,1-8H3/t32-;2*31-;28-;29-/m11111/s1
InChIKeyGLLIIKXNJDMWML-SYKOEQEVSA-N
MW2938.98 g/mol
LogP44.99
Rot. Bonds30

About (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 158291833) has the molecular formula C167H180Cl5N17O11S5 and a molecular weight of 2938.98 g/mol. Its IUPAC name is (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

Compound Name(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
PubChem CID158291833
Molecular FormulaC167H180Cl5N17O11S5
Molecular Weight2938.98 g/mol
Exact Mass2934.11
IUPAC Name(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C(C)C)n4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C)n4C(C)C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4nc(C)n(C5CCN(C)CC5)c4c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4nc(C)n(C5CCOCC5)c4c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4ncn(C5CCN(C)CC5)c4c3)sc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C35H39ClN4O2S.C34H37ClN4O2S.C34H36ClN3O3S.2C32H34ClN3O2S/c1-20-18-28-33(31(23-8-11-25(36)12-9-23)30(20)32(21(2)41)42-35(4,5)6)43-34(38-28)24-10-13-27-29(19-24)40(22(3)37-27)26-14-16-39(7)17-15-26;1-20-17-27-32(30(22-7-10-24(35)11-8-22)29(20)31(21(2)40)41-34(3,4)5)42-33(37-27)23-9-12-26-28(18-23)39(19-36-26)25-13-15-38(6)16-14-25;1-19-17-27-32(30(22-7-10-24(35)11-8-22)29(19)31(20(2)39)41-34(4,5)6)42-33(37-27)23-9-12-26-28(18-23)38(21(3)36-26)25-13-15-40-16-14-25;1-17(2)30-34-23-16-21(11-14-25(23)36(30)8)31-35-24-15-18(3)26(28(19(4)37)38-32(5,6)7)27(29(24)39-31)20-9-12-22(33)13-10-20;1-17(2)36-20(5)34-24-16-22(11-14-26(24)36)31-35-25-15-18(3)27(29(19(4)37)38-32(6,7)8)28(30(25)39-31)21-9-12-23(33)13-10-21/h8-13,18-19,26,32H,14-17H2,1-7H3;7-12,17-19,25,31H,13-16H2,1-6H3;7-12,17-18,25,31H,13-16H2,1-6H3;9-17,28H,1-8H3;9-17,29H,1-8H3/t32-;2*31-;28-;29-/m11111/s1
InChIKeyGLLIIKXNJDMWML-SYKOEQEVSA-N
XLogP44.99
TPSA300.76 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms205
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002938.98
LogP ≤ 544.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 158291833) is (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C(C)C)n4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C)n4C(C)C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4nc(C)n(C5CCN(C)CC5)c4c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4nc(C)n(C5CCOCC5)c4c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4ncn(C5CCN(C)CC5)c4c3)sc2c1-c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is GLLIIKXNJDMWML-SYKOEQEVSA-N. The full InChI is InChI=1S/C35H39ClN4O2S.C34H37ClN4O2S.C34H36ClN3O3S.2C32H34ClN3O2S/c1-20-18-28-33(31(23-8-11-25(36)12-9-23)30(20)32(21(2)41)42-35(4,5)6)43-34(38-28)24-10-13-27-29(19-24)40(22(3)37-27)26-14-16-39(7)17-15-26;1-20-17-27-32(30(22-7-10-24(35)11-8-22)29(20)31(21(2)40)41-34(3,4)5)42-33(37-27)23-9-12-26-28(18-23)39(19-36-26)25-13-15-38(6)16-14-25;1-19-17-27-32(30(22-7-10-24(35)11-8-22)29(19)31(20(2)39)41-34(4,5)6)42-33(37-27)23-9-12-26-28(18-23)38(21(3)36-26)25-13-15-40-16-14-25;1-17(2)30-34-23-16-21(11-14-25(23)36(30)8)31-35-24-15-18(3)26(28(19(4)37)38-32(5,6)7)27(29(24)39-31)20-9-12-22(33)13-10-20;1-17(2)36-20(5)34-24-16-22(11-14-26(24)36)31-35-25-15-18(3)27(29(19(4)37)38-32(6,7)8)28(30(25)39-31)21-9-12-23(33)13-10-21/h8-13,18-19,26,32H,14-17H2,1-7H3;7-12,17-19,25,31H,13-16H2,1-6H3;7-12,17-18,25,31H,13-16H2,1-6H3;9-17,28H,1-8H3;9-17,29H,1-8H3/t32-;2*31-;28-;29-/m11111/s1.
What are the key properties of (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2938.98 g/mol, XLogP of 44.99, 30 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-3-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 158291833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).