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

C19H22F3N3O2 — CID 51506909

IUPACN-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
SMILESCCC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H22F3N3O2/c1-2-15(26)23-18(19(20,21)22)17(27)25(14-11-7-4-8-12-14)16(24-18)13-9-5-3-6-10-13/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyAYMMLMGIBPIRIO-SFHVURJKSA-N
MW381.40 g/mol
LogP3.39
Rot. Bonds4

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

N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide (PubChem CID 51506909) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
PubChem CID51506909
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
SMILESCCC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H22F3N3O2/c1-2-15(26)23-18(19(20,21)22)17(27)25(14-11-7-4-8-12-14)16(24-18)13-9-5-3-6-10-13/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyAYMMLMGIBPIRIO-SFHVURJKSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The IUPAC name of N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide (CID 51506909) is N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide.
What is the SMILES notation for N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The canonical SMILES for N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide is CCC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O.
What is the InChIKey of N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The InChIKey is AYMMLMGIBPIRIO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-2-15(26)23-18(19(20,21)22)17(27)25(14-11-7-4-8-12-14)16(24-18)13-9-5-3-6-10-13/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide has a molecular weight of 381.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide is sourced from PubChem (CID 51506909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).