N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide

C18H22F3N3O2 — CID 139487191

IUPACN-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2cccc(OC(F)(F)F)c2n1C1CCC1
InChIInChI=1S/C18H22F3N3O2/c1-17(2,3)10-14(25)23-16-22-12-8-5-9-13(26-18(19,20)21)15(12)24(16)11-6-4-7-11/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,22,23,25)
InChIKeyVTLVEQMGZVJSHA-UHFFFAOYSA-N
MW369.39 g/mol
LogP5.03
Rot. Bonds4

About N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 139487191) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID139487191
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2cccc(OC(F)(F)F)c2n1C1CCC1
InChIInChI=1S/C18H22F3N3O2/c1-17(2,3)10-14(25)23-16-22-12-8-5-9-13(26-18(19,20)21)15(12)24(16)11-6-4-7-11/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,22,23,25)
InChIKeyVTLVEQMGZVJSHA-UHFFFAOYSA-N
XLogP5.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 139487191) is N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2cccc(OC(F)(F)F)c2n1C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is VTLVEQMGZVJSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-17(2,3)10-14(25)23-16-22-12-8-5-9-13(26-18(19,20)21)15(12)24(16)11-6-4-7-11/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,22,23,25).
What are the key properties of N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 369.39 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 139487191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).