1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea

C21H15F3N6O2 — CID 122312192

IUPAC1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N6O2/c22-21(23,24)16-3-1-2-4-17(16)29-20(31)28-14-5-7-15(8-6-14)32-19-11-18(26-12-27-19)30-10-9-25-13-30/h1-13H,(H2,28,29,31)
InChIKeyPFPXFSCSGBSNMZ-UHFFFAOYSA-N
MW440.39 g/mol
LogP5.12
Rot. Bonds5

About 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 122312192) has the molecular formula C21H15F3N6O2 and a molecular weight of 440.39 g/mol. Its IUPAC name is 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID122312192
Molecular FormulaC21H15F3N6O2
Molecular Weight440.39 g/mol
Exact Mass440.12
IUPAC Name1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N6O2/c22-21(23,24)16-3-1-2-4-17(16)29-20(31)28-14-5-7-15(8-6-14)32-19-11-18(26-12-27-19)30-10-9-25-13-30/h1-13H,(H2,28,29,31)
InChIKeyPFPXFSCSGBSNMZ-UHFFFAOYSA-N
XLogP5.12
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.39
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311988
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122311814
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934
1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122308969
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122312189
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122308965
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312948
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
1-(2-chlorophenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306214
1-(2-chlorophenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309662
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122312000

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 122312192) is 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is PFPXFSCSGBSNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O2/c22-21(23,24)16-3-1-2-4-17(16)29-20(31)28-14-5-7-15(8-6-14)32-19-11-18(26-12-27-19)30-10-9-25-13-30/h1-13H,(H2,28,29,31).
What are the key properties of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 440.39 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 122312192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).