[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate

C170H210F6N14O14 — CID 161417848

IUPAC[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C)n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21.CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21.CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C1CC1)n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21.CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C1CC1)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21.COc1ccc(-c2nc3ccccc3n2[C@@H](C(=O)OC2C[C@H](C)CC[C@H]2C(C)C)C2CC2)cc1.COc1ccc(-c2nc3ccccc3n2[C@H](C)C(=O)OC2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C30H39N3O2.C29H33F3N2O2.C29H36N2O3.C28H37N3O2.C27H31F3N2O2.C27H34N2O3/c1-19(2)24-17-10-20(3)18-27(24)35-30(34)28(21-11-12-21)33-26-9-7-6-8-25(26)31-29(33)22-13-15-23(16-14-22)32(4)5;1-17(2)22-15-8-18(3)16-25(22)36-28(35)26(19-9-10-19)34-24-7-5-4-6-23(24)33-27(34)20-11-13-21(14-12-20)29(30,31)32;1-18(2)23-16-9-19(3)17-26(23)34-29(32)27(20-10-11-20)31-25-8-6-5-7-24(25)30-28(31)21-12-14-22(33-4)15-13-21;1-18(2)23-16-11-19(3)17-26(23)33-28(32)20(4)31-25-10-8-7-9-24(25)29-27(31)21-12-14-22(15-13-21)30(5)6;1-16(2)21-14-9-17(3)15-24(21)34-26(33)18(4)32-23-8-6-5-7-22(23)31-25(32)19-10-12-20(13-11-19)27(28,29)30;1-17(2)22-15-10-18(3)16-25(22)32-27(30)19(4)29-24-9-7-6-8-23(24)28-26(29)20-11-13-21(31-5)14-12-20/h6-9,13-16,19-21,24,27-28H,10-12,17-18H2,1-5H3;4-7,11-14,17-19,22,25-26H,8-10,15-16H2,1-3H3;5-8,12-15,18-20,23,26-27H,9-11,16-17H2,1-4H3;7-10,12-15,18-20,23,26H,11,16-17H2,1-6H3;5-8,10-13,16-18,21,24H,9,14-15H2,1-4H3;6-9,11-14,17-19,22,25H,10,15-16H2,1-5H3/t20-,24+,27?,28-;18-,22+,25?,26-;19-,23+,26?,27-;19-,20-,23+,26?;17-,18-,21+,24?;18-,19-,22+,25?/m111111/s1
InChIKeyVWIACSFHRHIMDY-KWBPRWKHSA-N
MW2787.62 g/mol
LogP40.97
Rot. Bonds37

About [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate

[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate (PubChem CID 161417848) has the molecular formula C170H210F6N14O14 and a molecular weight of 2787.62 g/mol. Its IUPAC name is [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate.

Molecular Properties

Compound Name[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate
PubChem CID161417848
Molecular FormulaC170H210F6N14O14
Molecular Weight2787.62 g/mol
Exact Mass2785.61
IUPAC Name[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C)n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21.CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21.CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C1CC1)n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21.CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C1CC1)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21.COc1ccc(-c2nc3ccccc3n2[C@@H](C(=O)OC2C[C@H](C)CC[C@H]2C(C)C)C2CC2)cc1.COc1ccc(-c2nc3ccccc3n2[C@H](C)C(=O)OC2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C30H39N3O2.C29H33F3N2O2.C29H36N2O3.C28H37N3O2.C27H31F3N2O2.C27H34N2O3/c1-19(2)24-17-10-20(3)18-27(24)35-30(34)28(21-11-12-21)33-26-9-7-6-8-25(26)31-29(33)22-13-15-23(16-14-22)32(4)5;1-17(2)22-15-8-18(3)16-25(22)36-28(35)26(19-9-10-19)34-24-7-5-4-6-23(24)33-27(34)20-11-13-21(14-12-20)29(30,31)32;1-18(2)23-16-9-19(3)17-26(23)34-29(32)27(20-10-11-20)31-25-8-6-5-7-24(25)30-28(31)21-12-14-22(33-4)15-13-21;1-18(2)23-16-11-19(3)17-26(23)33-28(32)20(4)31-25-10-8-7-9-24(25)29-27(31)21-12-14-22(15-13-21)30(5)6;1-16(2)21-14-9-17(3)15-24(21)34-26(33)18(4)32-23-8-6-5-7-22(23)31-25(32)19-10-12-20(13-11-19)27(28,29)30;1-17(2)22-15-10-18(3)16-25(22)32-27(30)19(4)29-24-9-7-6-8-23(24)28-26(29)20-11-13-21(31-5)14-12-20/h6-9,13-16,19-21,24,27-28H,10-12,17-18H2,1-5H3;4-7,11-14,17-19,22,25-26H,8-10,15-16H2,1-3H3;5-8,12-15,18-20,23,26-27H,9-11,16-17H2,1-4H3;7-10,12-15,18-20,23,26H,11,16-17H2,1-6H3;5-8,10-13,16-18,21,24H,9,14-15H2,1-4H3;6-9,11-14,17-19,22,25H,10,15-16H2,1-5H3/t20-,24+,27?,28-;18-,22+,25?,26-;19-,23+,26?,27-;19-,20-,23+,26?;17-,18-,21+,24?;18-,19-,22+,25?/m111111/s1
InChIKeyVWIACSFHRHIMDY-KWBPRWKHSA-N
XLogP40.97
TPSA289.66 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds37
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002787.62
LogP ≤ 540.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

[(1R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate
CID 129231811
(3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate
CID 129231805
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetate
CID 129230731
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetate
CID 129230634
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-[3-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate
CID 129230422
[(3R)-3-methylcyclohexyl] (2R)-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]propanoate
CID 145328972
N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide
CID 68693949
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-(4-methoxyphenyl)propanoate
CID 102076289
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7897484
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-(4-nitrophenyl)benzimidazol-1-yl]acetate
CID 129230703
trans-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2S)-2-(1-cyclopropylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 142403461

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate?
The IUPAC name of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate (CID 161417848) is [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate.
What is the SMILES notation for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate?
The canonical SMILES for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate is CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C)n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21.CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21.CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C1CC1)n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21.CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)[C@@H](C1CC1)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21.COc1ccc(-c2nc3ccccc3n2[C@@H](C(=O)OC2C[C@H](C)CC[C@H]2C(C)C)C2CC2)cc1.COc1ccc(-c2nc3ccccc3n2[C@H](C)C(=O)OC2C[C@H](C)CC[C@H]2C(C)C)cc1.
What is the InChIKey of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate?
The InChIKey is VWIACSFHRHIMDY-KWBPRWKHSA-N. The full InChI is InChI=1S/C30H39N3O2.C29H33F3N2O2.C29H36N2O3.C28H37N3O2.C27H31F3N2O2.C27H34N2O3/c1-19(2)24-17-10-20(3)18-27(24)35-30(34)28(21-11-12-21)33-26-9-7-6-8-25(26)31-29(33)22-13-15-23(16-14-22)32(4)5;1-17(2)22-15-8-18(3)16-25(22)36-28(35)26(19-9-10-19)34-24-7-5-4-6-23(24)33-27(34)20-11-13-21(14-12-20)29(30,31)32;1-18(2)23-16-9-19(3)17-26(23)34-29(32)27(20-10-11-20)31-25-8-6-5-7-24(25)30-28(31)21-12-14-22(33-4)15-13-21;1-18(2)23-16-11-19(3)17-26(23)33-28(32)20(4)31-25-10-8-7-9-24(25)29-27(31)21-12-14-22(15-13-21)30(5)6;1-16(2)21-14-9-17(3)15-24(21)34-26(33)18(4)32-23-8-6-5-7-22(23)31-25(32)19-10-12-20(13-11-19)27(28,29)30;1-17(2)22-15-10-18(3)16-25(22)32-27(30)19(4)29-24-9-7-6-8-23(24)28-26(29)20-11-13-21(31-5)14-12-20/h6-9,13-16,19-21,24,27-28H,10-12,17-18H2,1-5H3;4-7,11-14,17-19,22,25-26H,8-10,15-16H2,1-3H3;5-8,12-15,18-20,23,26-27H,9-11,16-17H2,1-4H3;7-10,12-15,18-20,23,26H,11,16-17H2,1-6H3;5-8,10-13,16-18,21,24H,9,14-15H2,1-4H3;6-9,11-14,17-19,22,25H,10,15-16H2,1-5H3/t20-,24+,27?,28-;18-,22+,25?,26-;19-,23+,26?,27-;19-,20-,23+,26?;17-,18-,21+,24?;18-,19-,22+,25?/m111111/s1.
What are the key properties of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate?
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate has a molecular weight of 2787.62 g/mol, XLogP of 40.97, 37 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate is sourced from PubChem (CID 161417848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).