N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide

C19H22F3N3O2 — CID 29098749

IUPACN-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O
InChIInChI=1S/C19H22F3N3O2/c1-12(2)16(26)24-18(19(20,21)22)17(27)25(14-10-6-7-11-14)15(23-18)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyABRYYQMXPKZNPZ-GOSISDBHSA-N
MW381.40 g/mol
LogP3.25
Rot. Bonds4

About N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide

N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide (PubChem CID 29098749) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
PubChem CID29098749
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O
InChIInChI=1S/C19H22F3N3O2/c1-12(2)16(26)24-18(19(20,21)22)17(27)25(14-10-6-7-11-14)15(23-18)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyABRYYQMXPKZNPZ-GOSISDBHSA-N
XLogP3.25
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide (CID 29098749) is N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide is CC(C)C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O.
What is the InChIKey of N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide?
The InChIKey is ABRYYQMXPKZNPZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-12(2)16(26)24-18(19(20,21)22)17(27)25(14-10-6-7-11-14)15(23-18)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide?
N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide has a molecular weight of 381.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 29098749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).