N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide

C17H20F5N3O2 — CID 129076007

IUPACN-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
SMILESCC(O)(CC(=O)Nc1nc2cc(F)c(F)cc2n1C(C)(C)C)CC(F)(F)F
InChIInChI=1S/C17H20F5N3O2/c1-15(2,3)25-12-6-10(19)9(18)5-11(12)23-14(25)24-13(26)7-16(4,27)8-17(20,21)22/h5-6,27H,7-8H2,1-4H3,(H,23,24,26)
InChIKeyLCRPHHHVRVQDAD-UHFFFAOYSA-N
MW393.36 g/mol
LogP4.10
Rot. Bonds4

About N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide

N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide (PubChem CID 129076007) has the molecular formula C17H20F5N3O2 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
PubChem CID129076007
Molecular FormulaC17H20F5N3O2
Molecular Weight393.36 g/mol
Exact Mass393.15
IUPAC NameN-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
SMILESCC(O)(CC(=O)Nc1nc2cc(F)c(F)cc2n1C(C)(C)C)CC(F)(F)F
InChIInChI=1S/C17H20F5N3O2/c1-15(2,3)25-12-6-10(19)9(18)5-11(12)23-14(25)24-13(26)7-16(4,27)8-17(20,21)22/h5-6,27H,7-8H2,1-4H3,(H,23,24,26)
InChIKeyLCRPHHHVRVQDAD-UHFFFAOYSA-N
XLogP4.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
CID 130361770
(3S)-N-(1-tert-butyl-6-isocyano-5-methylbenzimidazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 140706475
(3R)-N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;methane
CID 158425795
N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
CID 129075684
N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 129064863
(3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide
CID 130361396
N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide
CID 139487099
(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide
CID 130361339
N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 139487142
N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide
CID 47080720
N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 90447811
3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide
CID 51093634

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
The IUPAC name of N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide (CID 129076007) is N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide.
What is the SMILES notation for N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
The canonical SMILES for N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide is CC(O)(CC(=O)Nc1nc2cc(F)c(F)cc2n1C(C)(C)C)CC(F)(F)F.
What is the InChIKey of N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
The InChIKey is LCRPHHHVRVQDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F5N3O2/c1-15(2,3)25-12-6-10(19)9(18)5-11(12)23-14(25)24-13(26)7-16(4,27)8-17(20,21)22/h5-6,27H,7-8H2,1-4H3,(H,23,24,26).
What are the key properties of N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide has a molecular weight of 393.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide is sourced from PubChem (CID 129076007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).