N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide

C18H20F5N3O2 — CID 129075684

IUPACN-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(F)c(F)c2n1C1(C)CCC1)CC(F)(F)F
InChIInChI=1S/C18H20F5N3O2/c1-16(6-3-7-16)26-14-11(5-4-10(19)13(14)20)24-15(26)25-12(27)8-17(2,28)9-18(21,22)23/h4-5,28H,3,6-9H2,1-2H3,(H,24,25,27)
InChIKeyJAKBYRQJTJFDSZ-UHFFFAOYSA-N
MW405.37 g/mol
LogP4.25
Rot. Bonds5

About N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide

N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide (PubChem CID 129075684) has the molecular formula C18H20F5N3O2 and a molecular weight of 405.37 g/mol. Its IUPAC name is N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide.

Molecular Properties

Compound NameN-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
PubChem CID129075684
Molecular FormulaC18H20F5N3O2
Molecular Weight405.37 g/mol
Exact Mass405.15
IUPAC NameN-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(F)c(F)c2n1C1(C)CCC1)CC(F)(F)F
InChIInChI=1S/C18H20F5N3O2/c1-16(6-3-7-16)26-14-11(5-4-10(19)13(14)20)24-15(26)25-12(27)8-17(2,28)9-18(21,22)23/h4-5,28H,3,6-9H2,1-2H3,(H,24,25,27)
InChIKeyJAKBYRQJTJFDSZ-UHFFFAOYSA-N
XLogP4.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 129064863
(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130361425
N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
CID 129076007
N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
CID 139487111
N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
CID 130361770
2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
CID 139487167
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359666
3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide
CID 129064921
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide
CID 130359679
(3S)-N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide
CID 129075695
N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide
CID 129075721
N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 139487083

Frequently Asked Questions

What is the IUPAC name of N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
The IUPAC name of N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide (CID 129075684) is N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide.
What is the SMILES notation for N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
The canonical SMILES for N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide is CC(O)(CC(=O)Nc1nc2ccc(F)c(F)c2n1C1(C)CCC1)CC(F)(F)F.
What is the InChIKey of N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
The InChIKey is JAKBYRQJTJFDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F5N3O2/c1-16(6-3-7-16)26-14-11(5-4-10(19)13(14)20)24-15(26)25-12(27)8-17(2,28)9-18(21,22)23/h4-5,28H,3,6-9H2,1-2H3,(H,24,25,27).
What are the key properties of N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide has a molecular weight of 405.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide is sourced from PubChem (CID 129075684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).