4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C20H14F3N5 — CID 5329424

IUPAC4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C20H14F3N5/c21-20(22,23)15-7-4-8-16(13-15)26-19-25-10-9-17(27-19)28-12-11-24-18(28)14-5-2-1-3-6-14/h1-13H,(H,25,26,27)
InChIKeyDVZRCIHWWHNWKI-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.09
Rot. Bonds4

About 4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 5329424) has the molecular formula C20H14F3N5 and a molecular weight of 381.36 g/mol. Its IUPAC name is 4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID5329424
Molecular FormulaC20H14F3N5
Molecular Weight381.36 g/mol
Exact Mass381.12
IUPAC Name4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C20H14F3N5/c21-20(22,23)15-7-4-8-16(13-15)26-19-25-10-9-17(27-19)28-12-11-24-18(28)14-5-2-1-3-6-14/h1-13H,(H,25,26,27)
InChIKeyDVZRCIHWWHNWKI-UHFFFAOYSA-N
XLogP5.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine 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-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 5329424) is 4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1.
What is the InChIKey of 4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is DVZRCIHWWHNWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5/c21-20(22,23)15-7-4-8-16(13-15)26-19-25-10-9-17(27-19)28-12-11-24-18(28)14-5-2-1-3-6-14/h1-13H,(H,25,26,27).
What are the key properties of 4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 381.36 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 5329424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).