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

C21H17F3N4O2 — CID 29072072

IUPAC(5S)-3-(furan-2-ylmethyl)-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(Cc3ccco3)C2=O)n1
InChIInChI=1S/C21H17F3N4O2/c1-14-7-5-11-17(25-14)26-20(21(22,23)24)19(29)28(13-16-10-6-12-30-16)18(27-20)15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeyHHFRNMZLXBRJIY-FQEVSTJZSA-N
MW414.39 g/mol
LogP4.14
Rot. Bonds5

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

(5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one (PubChem CID 29072072) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is (5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one.

Molecular Properties

Compound Name(5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
PubChem CID29072072
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name(5S)-3-(furan-2-ylmethyl)-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(Cc3ccco3)C2=O)n1
InChIInChI=1S/C21H17F3N4O2/c1-14-7-5-11-17(25-14)26-20(21(22,23)24)19(29)28(13-16-10-6-12-30-16)18(27-20)15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeyHHFRNMZLXBRJIY-FQEVSTJZSA-N
XLogP4.14
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one with MolForge

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Related Compounds

(5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 29072701
5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one
CID 16764304
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51525464
2-chloro-N-[(4R)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29098751
(5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 51971376
N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide
CID 17344757
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
CID 51542640
ethyl N-[(4S)-1-[(4-fluorophenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
CID 29021418
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368
(5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one
CID 29111342
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
N-[5-oxo-2-phenyl-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazol-4-yl]acetamide
CID 4909296

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The IUPAC name of (5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one (CID 29072072) is (5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one.
What is the SMILES notation for (5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The canonical SMILES for (5S)-3-(furan-2-ylmethyl)-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(Cc3ccco3)C2=O)n1.
What is the InChIKey of (5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The InChIKey is HHFRNMZLXBRJIY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c1-14-7-5-11-17(25-14)26-20(21(22,23)24)19(29)28(13-16-10-6-12-30-16)18(27-20)15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,25,26)/t20-/m0/s1.
What are the key properties of (5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
(5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one has a molecular weight of 414.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one is sourced from PubChem (CID 29072072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).