N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide

C68H75F5N10O8 — CID 158058175

IUPACN-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide
SMILESCC(C)(O)CC(=O)Nc1nc2cc(OC(F)F)c(C3CC3)cc2n1C1CCC1.C[C@](O)(CC(=O)Nc1nc2cc(OC(F)F)c(C3CC3)cc2n1C1CCC1)c1ccccc1.[C-]#[N+]c1cc2c(cc1F)nc(NC(=O)C[C@](C)(O)c1ccc(C)cc1)n2C1CCC1
InChIInChI=1S/C25H27F2N3O3.C23H23FN4O2.C20H25F2N3O3/c1-25(32,16-6-3-2-4-7-16)14-22(31)29-24-28-19-13-21(33-23(26)27)18(15-10-11-15)12-20(19)30(24)17-8-5-9-17;1-14-7-9-15(10-8-14)23(2,30)13-21(29)27-22-26-19-11-17(24)18(25-3)12-20(19)28(22)16-5-4-6-16;1-20(2,27)10-17(26)24-19-23-14-9-16(28-18(21)22)13(11-6-7-11)8-15(14)25(19)12-4-3-5-12/h2-4,6-7,12-13,15,17,23,32H,5,8-11,14H2,1H3,(H,28,29,31);7-12,16,30H,4-6,13H2,1-2H3,(H,26,27,29);8-9,11-12,18,27H,3-7,10H2,1-2H3,(H,23,24,26)/t25-;23-;/m00./s1
InChIKeyFKIAJACYCBBGBT-UCCHRUEHSA-N
MW1255.40 g/mol
LogP14.81
Rot. Bonds20

About N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide

N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide (PubChem CID 158058175) has the molecular formula C68H75F5N10O8 and a molecular weight of 1255.40 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide
PubChem CID158058175
Molecular FormulaC68H75F5N10O8
Molecular Weight1255.40 g/mol
Exact Mass1254.57
IUPAC NameN-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide
SMILESCC(C)(O)CC(=O)Nc1nc2cc(OC(F)F)c(C3CC3)cc2n1C1CCC1.C[C@](O)(CC(=O)Nc1nc2cc(OC(F)F)c(C3CC3)cc2n1C1CCC1)c1ccccc1.[C-]#[N+]c1cc2c(cc1F)nc(NC(=O)C[C@](C)(O)c1ccc(C)cc1)n2C1CCC1
InChIInChI=1S/C25H27F2N3O3.C23H23FN4O2.C20H25F2N3O3/c1-25(32,16-6-3-2-4-7-16)14-22(31)29-24-28-19-13-21(33-23(26)27)18(15-10-11-15)12-20(19)30(24)17-8-5-9-17;1-14-7-9-15(10-8-14)23(2,30)13-21(29)27-22-26-19-11-17(24)18(25-3)12-20(19)28(22)16-5-4-6-16;1-20(2,27)10-17(26)24-19-23-14-9-16(28-18(21)22)13(11-6-7-11)8-15(14)25(19)12-4-3-5-12/h2-4,6-7,12-13,15,17,23,32H,5,8-11,14H2,1H3,(H,28,29,31);7-12,16,30H,4-6,13H2,1-2H3,(H,26,27,29);8-9,11-12,18,27H,3-7,10H2,1-2H3,(H,23,24,26)/t25-;23-;/m00./s1
InChIKeyFKIAJACYCBBGBT-UCCHRUEHSA-N
XLogP14.81
TPSA224.27 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001255.40
LogP ≤ 514.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide with MolForge

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Related Compounds

3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide
CID 140706446
N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 139487215
bis(N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-methoxybenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-isocyano-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 161095634
N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 129064902
(2S)-8-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-hydroxy-2-phenyloctan-4-one
CID 153346064
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
bis(N-(1-tert-butyl-6-isocyano-5-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);bis(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 160678768
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359620
(3R)-N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 129075879
(3S)-N-[6-cyano-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
CID 129075729
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide
CID 118941503
N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 129075871

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide?
The IUPAC name of N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide (CID 158058175) is N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide?
The canonical SMILES for N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide is CC(C)(O)CC(=O)Nc1nc2cc(OC(F)F)c(C3CC3)cc2n1C1CCC1.C[C@](O)(CC(=O)Nc1nc2cc(OC(F)F)c(C3CC3)cc2n1C1CCC1)c1ccccc1.[C-]#[N+]c1cc2c(cc1F)nc(NC(=O)C[C@](C)(O)c1ccc(C)cc1)n2C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide?
The InChIKey is FKIAJACYCBBGBT-UCCHRUEHSA-N. The full InChI is InChI=1S/C25H27F2N3O3.C23H23FN4O2.C20H25F2N3O3/c1-25(32,16-6-3-2-4-7-16)14-22(31)29-24-28-19-13-21(33-23(26)27)18(15-10-11-15)12-20(19)30(24)17-8-5-9-17;1-14-7-9-15(10-8-14)23(2,30)13-21(29)27-22-26-19-11-17(24)18(25-3)12-20(19)28(22)16-5-4-6-16;1-20(2,27)10-17(26)24-19-23-14-9-16(28-18(21)22)13(11-6-7-11)8-15(14)25(19)12-4-3-5-12/h2-4,6-7,12-13,15,17,23,32H,5,8-11,14H2,1H3,(H,28,29,31);7-12,16,30H,4-6,13H2,1-2H3,(H,26,27,29);8-9,11-12,18,27H,3-7,10H2,1-2H3,(H,23,24,26)/t25-;23-;/m00./s1.
What are the key properties of N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide?
N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide has a molecular weight of 1255.40 g/mol, XLogP of 14.81, 20 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[1-cyclobutyl-6-cyclopropyl-5-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-(1-cyclobutyl-5-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide is sourced from PubChem (CID 158058175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).