N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

C17H20F3N3O3 — CID 139487133

IUPACN-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2cccc(OC(F)(F)F)c2n1C1CCC1
InChIInChI=1S/C17H20F3N3O3/c1-16(2,25)9-13(24)22-15-21-11-7-4-8-12(26-17(18,19)20)14(11)23(15)10-5-3-6-10/h4,7-8,10,25H,3,5-6,9H2,1-2H3,(H,21,22,24)
InChIKeyNVWHONWJEODQIF-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.76
Rot. Bonds5

About N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 139487133) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
PubChem CID139487133
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC NameN-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2cccc(OC(F)(F)F)c2n1C1CCC1
InChIInChI=1S/C17H20F3N3O3/c1-16(2,25)9-13(24)22-15-21-11-7-4-8-12(26-17(18,19)20)14(11)23(15)10-5-3-6-10/h4,7-8,10,25H,3,5-6,9H2,1-2H3,(H,21,22,24)
InChIKeyNVWHONWJEODQIF-UHFFFAOYSA-N
XLogP3.76
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (CID 139487133) is N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is CC(C)(O)CC(=O)Nc1nc2cccc(OC(F)(F)F)c2n1C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is NVWHONWJEODQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-16(2,25)9-13(24)22-15-21-11-7-4-8-12(26-17(18,19)20)14(11)23(15)10-5-3-6-10/h4,7-8,10,25H,3,5-6,9H2,1-2H3,(H,21,22,24).
What are the key properties of N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 371.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 139487133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).