(5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one

C23H19F3N4O — CID 29072701

IUPAC(5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESCc1cccc(N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C23H19F3N4O/c1-16-9-8-14-19(27-16)28-22(23(24,25)26)21(31)30(15-17-10-4-2-5-11-17)20(29-22)18-12-6-3-7-13-18/h2-14H,15H2,1H3,(H,27,28)/t22-/m0/s1
InChIKeyMAMYUJMXPBRKOG-QFIPXVFZSA-N
MW424.43 g/mol
LogP4.55
Rot. Bonds5

About (5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one

(5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one (PubChem CID 29072701) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is (5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one.

Molecular Properties

Compound Name(5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
PubChem CID29072701
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name(5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESCc1cccc(N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C23H19F3N4O/c1-16-9-8-14-19(27-16)28-22(23(24,25)26)21(31)30(15-17-10-4-2-5-11-17)20(29-22)18-12-6-3-7-13-18/h2-14H,15H2,1H3,(H,27,28)/t22-/m0/s1
InChIKeyMAMYUJMXPBRKOG-QFIPXVFZSA-N
XLogP4.55
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The IUPAC name of (5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one (CID 29072701) is (5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one.
What is the SMILES notation for (5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The canonical SMILES for (5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one is Cc1cccc(N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)n1.
What is the InChIKey of (5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The InChIKey is MAMYUJMXPBRKOG-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H19F3N4O/c1-16-9-8-14-19(27-16)28-22(23(24,25)26)21(31)30(15-17-10-4-2-5-11-17)20(29-22)18-12-6-3-7-13-18/h2-14H,15H2,1H3,(H,27,28)/t22-/m0/s1.
What are the key properties of (5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
(5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one has a molecular weight of 424.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one is sourced from PubChem (CID 29072701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).