(5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one

C19H17F3N4O — CID 29111342

IUPAC(5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one
SMILESC=CCN1C(=O)[C@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C19H17F3N4O/c1-3-12-26-16(14-9-5-4-6-10-14)25-18(17(26)27,19(20,21)22)24-15-13(2)8-7-11-23-15/h3-11H,1,12H2,2H3,(H,23,24)/t18-/m1/s1
InChIKeyRKRWPKUQRRPRPF-GOSISDBHSA-N
MW374.37 g/mol
LogP3.54
Rot. Bonds5

About (5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one

(5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one (PubChem CID 29111342) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is (5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one
PubChem CID29111342
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name(5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one
SMILESC=CCN1C(=O)[C@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C19H17F3N4O/c1-3-12-26-16(14-9-5-4-6-10-14)25-18(17(26)27,19(20,21)22)24-15-13(2)8-7-11-23-15/h3-11H,1,12H2,2H3,(H,23,24)/t18-/m1/s1
InChIKeyRKRWPKUQRRPRPF-GOSISDBHSA-N
XLogP3.54
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one?
The IUPAC name of (5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one (CID 29111342) is (5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one.
What is the SMILES notation for (5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one?
The canonical SMILES for (5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one is C=CCN1C(=O)[C@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of (5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one?
The InChIKey is RKRWPKUQRRPRPF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-3-12-26-16(14-9-5-4-6-10-14)25-18(17(26)27,19(20,21)22)24-15-13(2)8-7-11-23-15/h3-11H,1,12H2,2H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one?
(5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one has a molecular weight of 374.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one is sourced from PubChem (CID 29111342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).