(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C16H15F6N3O2 — CID 118938264

IUPAC(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(C(=O)Nc1nc2ccc(C(F)(F)F)cc2n1C1CCC1)C(F)(F)F
InChIInChI=1S/C16H15F6N3O2/c1-14(27,16(20,21)22)12(26)24-13-23-10-6-5-8(15(17,18)19)7-11(10)25(13)9-3-2-4-9/h5-7,9,27H,2-4H2,1H3,(H,23,24,26)/t14-/m0/s1
InChIKeyAQBIHVLXCDEXGO-AWEZNQCLSA-N
MW395.30 g/mol
LogP4.03
Rot. Bonds3

About (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 118938264) has the molecular formula C16H15F6N3O2 and a molecular weight of 395.30 g/mol. Its IUPAC name is (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID118938264
Molecular FormulaC16H15F6N3O2
Molecular Weight395.30 g/mol
Exact Mass395.11
IUPAC Name(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(C(=O)Nc1nc2ccc(C(F)(F)F)cc2n1C1CCC1)C(F)(F)F
InChIInChI=1S/C16H15F6N3O2/c1-14(27,16(20,21)22)12(26)24-13-23-10-6-5-8(15(17,18)19)7-11(10)25(13)9-3-2-4-9/h5-7,9,27H,2-4H2,1H3,(H,23,24,26)/t14-/m0/s1
InChIKeyAQBIHVLXCDEXGO-AWEZNQCLSA-N
XLogP4.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 118938264) is (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is C[C@](O)(C(=O)Nc1nc2ccc(C(F)(F)F)cc2n1C1CCC1)C(F)(F)F.
What is the InChIKey of (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is AQBIHVLXCDEXGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15F6N3O2/c1-14(27,16(20,21)22)12(26)24-13-23-10-6-5-8(15(17,18)19)7-11(10)25(13)9-3-2-4-9/h5-7,9,27H,2-4H2,1H3,(H,23,24,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 395.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 118938264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).