N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

C17H19BrF3N3O2 — CID 129064903

IUPACN-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1
InChIInChI=1S/C17H19BrF3N3O2/c1-16(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/h6-7,10,26H,3-5,8H2,1-2H3,(H,22,23,25)
InChIKeyOXFHJIYLGCQYNY-UHFFFAOYSA-N
MW434.26 g/mol
LogP4.64
Rot. Bonds4

About N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 129064903) has the molecular formula C17H19BrF3N3O2 and a molecular weight of 434.26 g/mol. Its IUPAC name is N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
PubChem CID129064903
Molecular FormulaC17H19BrF3N3O2
Molecular Weight434.26 g/mol
Exact Mass433.06
IUPAC NameN-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1
InChIInChI=1S/C17H19BrF3N3O2/c1-16(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/h6-7,10,26H,3-5,8H2,1-2H3,(H,22,23,25)
InChIKeyOXFHJIYLGCQYNY-UHFFFAOYSA-N
XLogP4.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (CID 129064903) is N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.
What is the InChIKey of N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is OXFHJIYLGCQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrF3N3O2/c1-16(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/h6-7,10,26H,3-5,8H2,1-2H3,(H,22,23,25).
What are the key properties of N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 434.26 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 129064903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).