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

C23H22N6O2 — CID 122312668

IUPAC1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)c1
InChIInChI=1S/C23H22N6O2/c1-15-5-4-6-19(13-15)28-23(30)27-18-7-9-20(10-8-18)31-22-14-21(25-16(2)26-22)29-12-11-24-17(29)3/h4-14H,1-3H3,(H2,27,28,30)
InChIKeySSXAOUCQNHXWSQ-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.02
Rot. Bonds5

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

1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea (PubChem CID 122312668) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea
PubChem CID122312668
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)c1
InChIInChI=1S/C23H22N6O2/c1-15-5-4-6-19(13-15)28-23(30)27-18-7-9-20(10-8-18)31-22-14-21(25-16(2)26-22)29-12-11-24-17(29)3/h4-14H,1-3H3,(H2,27,28,30)
InChIKeySSXAOUCQNHXWSQ-UHFFFAOYSA-N
XLogP5.02
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312948
2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312623
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide
CID 122312789
1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312694
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
CID 122312815
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide
CID 122312778
1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310044
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea
CID 122306653
2-(difluoromethylsulfanyl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312837
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122306588

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea (CID 122312668) is 1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)c1.
What is the InChIKey of 1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea?
The InChIKey is SSXAOUCQNHXWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-15-5-4-6-19(13-15)28-23(30)27-18-7-9-20(10-8-18)31-22-14-21(25-16(2)26-22)29-12-11-24-17(29)3/h4-14H,1-3H3,(H2,27,28,30).
What are the key properties of 1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea?
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea has a molecular weight of 414.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 122312668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).