1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea

C22H19FN6O2 — CID 122312314

IUPAC1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3cc(-n4ccnc4C)ncn3)cc2)cc1F
InChIInChI=1S/C22H19FN6O2/c1-14-3-4-17(11-19(14)23)28-22(30)27-16-5-7-18(8-6-16)31-21-12-20(25-13-26-21)29-10-9-24-15(29)2/h3-13H,1-2H3,(H2,27,28,30)
InChIKeyFCNGURVHXOPKKQ-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.85
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea

1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea (PubChem CID 122312314) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
PubChem CID122312314
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3cc(-n4ccnc4C)ncn3)cc2)cc1F
InChIInChI=1S/C22H19FN6O2/c1-14-3-4-17(11-19(14)23)28-22(30)27-16-5-7-18(8-6-16)31-21-12-20(25-13-26-21)29-10-9-24-15(29)2/h3-13H,1-2H3,(H2,27,28,30)
InChIKeyFCNGURVHXOPKKQ-UHFFFAOYSA-N
XLogP4.85
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]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-(2,3-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312308
3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312229
1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306583
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312242
2-iodo-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312575
4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312439
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pentoxybenzamide
CID 122312480
2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide
CID 122312491
(E)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-phenylprop-2-enamide
CID 122312260
1-(3,4-dimethylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074302
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide
CID 122312470
2-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312348

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea (CID 122312314) is 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea is Cc1ccc(NC(=O)Nc2ccc(Oc3cc(-n4ccnc4C)ncn3)cc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?
The InChIKey is FCNGURVHXOPKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-14-3-4-17(11-19(14)23)28-22(30)27-16-5-7-18(8-6-16)31-21-12-20(25-13-26-21)29-10-9-24-15(29)2/h3-13H,1-2H3,(H2,27,28,30).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea has a molecular weight of 418.43 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 122312314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).