4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol

C21H17F3N4O — CID 6621801

IUPAC4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCc1cc(C)n2c(Nc3cccc(C(F)(F)F)c3)c(-c3ccc(O)cc3)nc2n1
InChIInChI=1S/C21H17F3N4O/c1-12-10-13(2)28-19(26-16-5-3-4-15(11-16)21(22,23)24)18(27-20(28)25-12)14-6-8-17(29)9-7-14/h3-11,26,29H,1-2H3
InChIKeyHLXSLPWMSJGHLO-UHFFFAOYSA-N
MW398.39 g/mol
LogP5.48
Rot. Bonds3

About 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol

4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol (PubChem CID 6621801) has the molecular formula C21H17F3N4O and a molecular weight of 398.39 g/mol. Its IUPAC name is 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol
PubChem CID6621801
Molecular FormulaC21H17F3N4O
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCc1cc(C)n2c(Nc3cccc(C(F)(F)F)c3)c(-c3ccc(O)cc3)nc2n1
InChIInChI=1S/C21H17F3N4O/c1-12-10-13(2)28-19(26-16-5-3-4-15(11-16)21(22,23)24)18(27-20(28)25-12)14-6-8-17(29)9-7-14/h3-11,26,29H,1-2H3
InChIKeyHLXSLPWMSJGHLO-UHFFFAOYSA-N
XLogP5.48
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.39
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol (CID 6621801) is 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol is Cc1cc(C)n2c(Nc3cccc(C(F)(F)F)c3)c(-c3ccc(O)cc3)nc2n1.
What is the InChIKey of 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol?
The InChIKey is HLXSLPWMSJGHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O/c1-12-10-13(2)28-19(26-16-5-3-4-15(11-16)21(22,23)24)18(27-20(28)25-12)14-6-8-17(29)9-7-14/h3-11,26,29H,1-2H3.
What are the key properties of 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol?
4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol has a molecular weight of 398.39 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,7-dimethyl-3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 6621801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).