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

C19H13F3N4O — CID 15987944

IUPAC3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc3ncccn3c2Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)13-5-2-6-14(11-13)24-17-16(12-4-1-7-15(27)10-12)25-18-23-8-3-9-26(17)18/h1-11,24,27H
InChIKeyNRROTYAZAFNRTI-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.86
Rot. Bonds3

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

3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol (PubChem CID 15987944) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol
PubChem CID15987944
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc3ncccn3c2Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)13-5-2-6-14(11-13)24-17-16(12-4-1-7-15(27)10-12)25-18-23-8-3-9-26(17)18/h1-11,24,27H
InChIKeyNRROTYAZAFNRTI-UHFFFAOYSA-N
XLogP4.86
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol (CID 15987944) is 3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol is Oc1cccc(-c2nc3ncccn3c2Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol?
The InChIKey is NRROTYAZAFNRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-19(21,22)13-5-2-6-14(11-13)24-17-16(12-4-1-7-15(27)10-12)25-18-23-8-3-9-26(17)18/h1-11,24,27H.
What are the key properties of 3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol?
3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol has a molecular weight of 370.33 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 15987944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).