1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea

C23H22N6O5 — CID 122312189

IUPAC1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Oc3cc(-n4ccnc4)ncn3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22N6O5/c1-31-18-10-16(11-19(32-2)22(18)33-3)28-23(30)27-15-4-6-17(7-5-15)34-21-12-20(25-13-26-21)29-9-8-24-14-29/h4-14H,1-3H3,(H2,27,28,30)
InChIKeyBLGFMZQPBQMCFQ-UHFFFAOYSA-N
MW462.47 g/mol
LogP4.12
Rot. Bonds8

About 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea

1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 122312189) has the molecular formula C23H22N6O5 and a molecular weight of 462.47 g/mol. Its IUPAC name is 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID122312189
Molecular FormulaC23H22N6O5
Molecular Weight462.47 g/mol
Exact Mass462.17
IUPAC Name1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Oc3cc(-n4ccnc4)ncn3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22N6O5/c1-31-18-10-16(11-19(32-2)22(18)33-3)28-23(30)27-15-4-6-17(7-5-15)34-21-12-20(25-13-26-21)29-9-8-24-14-29/h4-14H,1-3H3,(H2,27,28,30)
InChIKeyBLGFMZQPBQMCFQ-UHFFFAOYSA-N
XLogP4.12
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122309166
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311988
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312192
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122312000
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311868
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122310300
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122305340
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122311965
(E)-3-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122312112

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 122312189) is 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(Oc3cc(-n4ccnc4)ncn3)cc2)cc(OC)c1OC.
What is the InChIKey of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is BLGFMZQPBQMCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O5/c1-31-18-10-16(11-19(32-2)22(18)33-3)28-23(30)27-15-4-6-17(7-5-15)34-21-12-20(25-13-26-21)29-9-8-24-14-29/h4-14H,1-3H3,(H2,27,28,30).
What are the key properties of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 462.47 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 122312189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).