bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)

C111H135Br2Cl4F7N18O12 — CID 161049482

IUPACbis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)
SMILESCC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1
InChIInChI=1S/C20H25ClFN3O2.3C19H24ClN3O2.2C17H19BrF3N3O2/c1-2-20(27,11-22)10-17(26)23-19-24-18-15(21)8-13(12-6-7-12)9-16(18)25(19)14-4-3-5-14;3*1-19(2,25)10-16(24)21-18-22-17-14(20)8-12(11-6-7-11)9-15(17)23(18)13-4-3-5-13;2*1-16(2,26)8-13(25)22-15-23-14-11(17(19,20)21)6-9(18)7-12(14)24(15)10-4-3-5-10/h8-9,12,14,27H,2-7,10-11H2,1H3,(H,23,24,26);3*8-9,11,13,25H,3-7,10H2,1-2H3,(H,21,22,24);2*6-7,10,26H,3-5,8H2,1-2H3,(H,22,23,25)
InChIKeyUBYCOHYMZIVAPZ-UHFFFAOYSA-N
MW2348.02 g/mol
LogP27.19
Rot. Bonds30

About bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)

bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide) (PubChem CID 161049482) has the molecular formula C111H135Br2Cl4F7N18O12 and a molecular weight of 2348.02 g/mol. Its IUPAC name is bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide).

Molecular Properties

Compound Namebis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)
PubChem CID161049482
Molecular FormulaC111H135Br2Cl4F7N18O12
Molecular Weight2348.02 g/mol
Exact Mass2342.75
IUPAC Namebis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)
SMILESCC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1
InChIInChI=1S/C20H25ClFN3O2.3C19H24ClN3O2.2C17H19BrF3N3O2/c1-2-20(27,11-22)10-17(26)23-19-24-18-15(21)8-13(12-6-7-12)9-16(18)25(19)14-4-3-5-14;3*1-19(2,25)10-16(24)21-18-22-17-14(20)8-12(11-6-7-11)9-15(17)23(18)13-4-3-5-13;2*1-16(2,26)8-13(25)22-15-23-14-11(17(19,20)21)6-9(18)7-12(14)24(15)10-4-3-5-10/h8-9,12,14,27H,2-7,10-11H2,1H3,(H,23,24,26);3*8-9,11,13,25H,3-7,10H2,1-2H3,(H,21,22,24);2*6-7,10,26H,3-5,8H2,1-2H3,(H,22,23,25)
InChIKeyUBYCOHYMZIVAPZ-UHFFFAOYSA-N
XLogP27.19
TPSA402.90 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002348.02
LogP ≤ 527.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

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Related Compounds

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
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
bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 157853210
bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)
CID 159201295
N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 160552247
bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);bis(N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)
CID 161196892
bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);bis(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 161681672
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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide
CID 162075389
N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 158572853
N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)acetamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)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 158729418
tris(N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);tris(N-(1-cyclobutyl-6-cyclopropyl-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)
CID 158989417
N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)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 159583951

Frequently Asked Questions

What is the IUPAC name of bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)?
The IUPAC name of bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide) (CID 161049482) is bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide).
What is the SMILES notation for bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)?
The canonical SMILES for bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide) is CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.
What is the InChIKey of bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)?
The InChIKey is UBYCOHYMZIVAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O2.3C19H24ClN3O2.2C17H19BrF3N3O2/c1-2-20(27,11-22)10-17(26)23-19-24-18-15(21)8-13(12-6-7-12)9-16(18)25(19)14-4-3-5-14;3*1-19(2,25)10-16(24)21-18-22-17-14(20)8-12(11-6-7-11)9-15(17)23(18)13-4-3-5-13;2*1-16(2,26)8-13(25)22-15-23-14-11(17(19,20)21)6-9(18)7-12(14)24(15)10-4-3-5-10/h8-9,12,14,27H,2-7,10-11H2,1H3,(H,23,24,26);3*8-9,11,13,25H,3-7,10H2,1-2H3,(H,21,22,24);2*6-7,10,26H,3-5,8H2,1-2H3,(H,22,23,25).
What are the key properties of bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)?
bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide) has a molecular weight of 2348.02 g/mol, XLogP of 27.19, 30 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide) is sourced from PubChem (CID 161049482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).