(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide

C127H151Cl2F5N18O13 — CID 158388639

IUPAC(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)C3CCC(F)(F)C3)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC(O)(C3CC3)C3CC3)n(C3CCC3)c2c1.C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1.C[C@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1.O=C(CC(O)(C1CC1)C1CC1)Nc1nc2ccc(C(F)(F)F)cc2n1C1CCC1
InChIInChI=1S/C23H31N3O3.2C21H22ClN3O2.C21H24F3N3O2.C21H27N3O2.C20H25F2N3O2/c1-22(2,28)16-10-11-18-19(12-16)26(17-4-3-5-17)21(24-18)25-20(27)13-23(29,14-6-7-14)15-8-9-15;2*1-21(27,14-6-3-2-4-7-14)13-19(26)24-20-23-17-11-10-15(22)12-18(17)25(20)16-8-5-9-16;22-21(23,24)14-8-9-16-17(10-14)27(15-2-1-3-15)19(25-16)26-18(28)11-20(29,12-4-5-12)13-6-7-13;1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-19(2,27)13-6-7-15-16(10-13)25(14-4-3-5-14)18(23-15)24-17(26)12-8-9-20(21,22)11-12/h10-12,14-15,17,28-29H,3-9,13H2,1-2H3,(H,24,25,27);2*2-4,6-7,10-12,16,27H,5,8-9,13H2,1H3,(H,23,24,26);8-10,12-13,15,29H,1-7,11H2,(H,25,26,28);7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);6-7,10,12,14,27H,3-5,8-9,11H2,1-2H3,(H,23,24,26)/t;2*21-;;;/m.10.../s1
InChIKeyGWRANPRPAUBYHM-SJNQVXKNSA-N
MW2303.61 g/mol
LogP26.31
Rot. Bonds31

About (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide

(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide (PubChem CID 158388639) has the molecular formula C127H151Cl2F5N18O13 and a molecular weight of 2303.61 g/mol. Its IUPAC name is (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide.

Molecular Properties

Compound Name(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide
PubChem CID158388639
Molecular FormulaC127H151Cl2F5N18O13
Molecular Weight2303.61 g/mol
Exact Mass2301.10
IUPAC Name(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)C3CCC(F)(F)C3)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC(O)(C3CC3)C3CC3)n(C3CCC3)c2c1.C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1.C[C@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1.O=C(CC(O)(C1CC1)C1CC1)Nc1nc2ccc(C(F)(F)F)cc2n1C1CCC1
InChIInChI=1S/C23H31N3O3.2C21H22ClN3O2.C21H24F3N3O2.C21H27N3O2.C20H25F2N3O2/c1-22(2,28)16-10-11-18-19(12-16)26(17-4-3-5-17)21(24-18)25-20(27)13-23(29,14-6-7-14)15-8-9-15;2*1-21(27,14-6-3-2-4-7-14)13-19(26)24-20-23-17-11-10-15(22)12-18(17)25(20)16-8-5-9-16;22-21(23,24)14-8-9-16-17(10-14)27(15-2-1-3-15)19(25-16)26-18(28)11-20(29,12-4-5-12)13-6-7-13;1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-19(2,27)13-6-7-15-16(10-13)25(14-4-3-5-14)18(23-15)24-17(26)12-8-9-20(21,22)11-12/h10-12,14-15,17,28-29H,3-9,13H2,1-2H3,(H,24,25,27);2*2-4,6-7,10-12,16,27H,5,8-9,13H2,1H3,(H,23,24,26);8-10,12-13,15,29H,1-7,11H2,(H,25,26,28);7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);6-7,10,12,14,27H,3-5,8-9,11H2,1-2H3,(H,23,24,26)/t;2*21-;;;/m.10.../s1
InChIKeyGWRANPRPAUBYHM-SJNQVXKNSA-N
XLogP26.31
TPSA423.13 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002303.61
LogP ≤ 526.31
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide with MolForge

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Related Compounds

N-[1-[3-[2-[3-[[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-1-cyclopropyl-1-hydroxy-3-oxopropyl]cyclopropyl]cyclobutyl]-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide
CID 129075863
N-[1-[3-[4-[[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]amino]-4-oxo-2-phenylbutan-2-yl]oxycyclobutyl]-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]cyclobutanecarboxamide
CID 134473054
N-[1-[3-[(2R)-4-[[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]amino]-4-oxo-2-phenylbutan-2-yl]oxycyclobutyl]-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]cyclobutanecarboxamide
CID 142339986
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide
CID 145041666
N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
CID 157195642
N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
CID 157226374
N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3,3-difluorocyclobutyl)acetamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-hydroxycyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide
CID 157522522
bis(N-(1-tert-butyl-6-isocyano-5-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide);N-(1-tert-butyl-6-isocyano-5-methylbenzimidazol-2-yl)-3-fluoro-3-methylcyclobutane-1-carboxamide;N-(1-cyclobutyl-7-fluoro-5-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-isocyano-5-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
CID 157531172
bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)
CID 157589652
N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 157766785
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 158085906
N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 158171462

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide?
The IUPAC name of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide (CID 158388639) is (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide.
What is the SMILES notation for (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide?
The canonical SMILES for (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide is CC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)C3CCC(F)(F)C3)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC(O)(C3CC3)C3CC3)n(C3CCC3)c2c1.C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1.C[C@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1.O=C(CC(O)(C1CC1)C1CC1)Nc1nc2ccc(C(F)(F)F)cc2n1C1CCC1.
What is the InChIKey of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide?
The InChIKey is GWRANPRPAUBYHM-SJNQVXKNSA-N. The full InChI is InChI=1S/C23H31N3O3.2C21H22ClN3O2.C21H24F3N3O2.C21H27N3O2.C20H25F2N3O2/c1-22(2,28)16-10-11-18-19(12-16)26(17-4-3-5-17)21(24-18)25-20(27)13-23(29,14-6-7-14)15-8-9-15;2*1-21(27,14-6-3-2-4-7-14)13-19(26)24-20-23-17-11-10-15(22)12-18(17)25(20)16-8-5-9-16;22-21(23,24)14-8-9-16-17(10-14)27(15-2-1-3-15)19(25-16)26-18(28)11-20(29,12-4-5-12)13-6-7-13;1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-19(2,27)13-6-7-15-16(10-13)25(14-4-3-5-14)18(23-15)24-17(26)12-8-9-20(21,22)11-12/h10-12,14-15,17,28-29H,3-9,13H2,1-2H3,(H,24,25,27);2*2-4,6-7,10-12,16,27H,5,8-9,13H2,1H3,(H,23,24,26);8-10,12-13,15,29H,1-7,11H2,(H,25,26,28);7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);6-7,10,12,14,27H,3-5,8-9,11H2,1-2H3,(H,23,24,26)/t;2*21-;;;/m.10.../s1.
What are the key properties of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide?
(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide has a molecular weight of 2303.61 g/mol, XLogP of 26.31, 31 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide is sourced from PubChem (CID 158388639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).