4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

C16H13F3N4O — CID 2962122

IUPAC4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SMILESCc1ccnc(NC2(C(F)(F)F)N=C(c3ccccc3)NC2=O)c1
InChIInChI=1S/C16H13F3N4O/c1-10-7-8-20-12(9-10)22-15(16(17,18)19)14(24)21-13(23-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,22)(H,21,23,24)
InChIKeyPAOOBIYLRVXJOM-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.64
Rot. Bonds3

About 4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one (PubChem CID 2962122) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
PubChem CID2962122
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SMILESCc1ccnc(NC2(C(F)(F)F)N=C(c3ccccc3)NC2=O)c1
InChIInChI=1S/C16H13F3N4O/c1-10-7-8-20-12(9-10)22-15(16(17,18)19)14(24)21-13(23-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,22)(H,21,23,24)
InChIKeyPAOOBIYLRVXJOM-UHFFFAOYSA-N
XLogP2.64
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The IUPAC name of 4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one (CID 2962122) is 4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one.
What is the SMILES notation for 4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The canonical SMILES for 4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one is Cc1ccnc(NC2(C(F)(F)F)N=C(c3ccccc3)NC2=O)c1.
What is the InChIKey of 4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The InChIKey is PAOOBIYLRVXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-10-7-8-20-12(9-10)22-15(16(17,18)19)14(24)21-13(23-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,22)(H,21,23,24).
What are the key properties of 4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one has a molecular weight of 334.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one is sourced from PubChem (CID 2962122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).