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

C16H15F6N3O — CID 134560811

IUPAC(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide
SMILESC[C@@H](C(=O)Nc1nc2ccc(C(F)(F)F)cc2n1C1CCC1)C(F)(F)F
InChIInChI=1S/C16H15F6N3O/c1-8(15(17,18)19)13(26)24-14-23-11-6-5-9(16(20,21)22)7-12(11)25(14)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,23,24,26)/t8-/m0/s1
InChIKeyZSPHBOJXRXWCAN-QMMMGPOBSA-N
MW379.30 g/mol
LogP4.92
Rot. Bonds3

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

(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 134560811) has the molecular formula C16H15F6N3O and a molecular weight of 379.30 g/mol. Its IUPAC name is (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID134560811
Molecular FormulaC16H15F6N3O
Molecular Weight379.30 g/mol
Exact Mass379.11
IUPAC Name(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide
SMILESC[C@@H](C(=O)Nc1nc2ccc(C(F)(F)F)cc2n1C1CCC1)C(F)(F)F
InChIInChI=1S/C16H15F6N3O/c1-8(15(17,18)19)13(26)24-14-23-11-6-5-9(16(20,21)22)7-12(11)25(14)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,23,24,26)/t8-/m0/s1
InChIKeyZSPHBOJXRXWCAN-QMMMGPOBSA-N
XLogP4.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methylpropanamide?
The IUPAC name of (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide (CID 134560811) is (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide is C[C@@H](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-methylpropanamide?
The InChIKey is ZSPHBOJXRXWCAN-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H15F6N3O/c1-8(15(17,18)19)13(26)24-14-23-11-6-5-9(16(20,21)22)7-12(11)25(14)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,23,24,26)/t8-/m0/s1.
What are the key properties of (2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide?
(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 379.30 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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-methylpropanamide is sourced from PubChem (CID 134560811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).