N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide

C22H19N5O2 — CID 122311892

IUPACN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Oc3cc(-n4ccnc4)ncn3)cc2)c1
InChIInChI=1S/C22H19N5O2/c1-15-9-16(2)11-17(10-15)22(28)26-18-3-5-19(6-4-18)29-21-12-20(24-13-25-21)27-8-7-23-14-27/h3-14H,1-2H3,(H,26,28)
InChIKeyVACHLVQIUGXMEA-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.32
Rot. Bonds5

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

N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide (PubChem CID 122311892) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
PubChem CID122311892
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Oc3cc(-n4ccnc4)ncn3)cc2)c1
InChIInChI=1S/C22H19N5O2/c1-15-9-16(2)11-17(10-15)22(28)26-18-3-5-19(6-4-18)29-21-12-20(24-13-25-21)27-8-7-23-14-27/h3-14H,1-2H3,(H,26,28)
InChIKeyVACHLVQIUGXMEA-UHFFFAOYSA-N
XLogP4.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122312000
2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311868
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-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311988
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122312071
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide
CID 122312047
4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122312986
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122311965
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312192
(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 N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide (CID 122311892) is N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccc(Oc3cc(-n4ccnc4)ncn3)cc2)c1.
What is the InChIKey of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide?
The InChIKey is VACHLVQIUGXMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-15-9-16(2)11-17(10-15)22(28)26-18-3-5-19(6-4-18)29-21-12-20(24-13-25-21)27-8-7-23-14-27/h3-14H,1-2H3,(H,26,28).
What are the key properties of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide?
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide has a molecular weight of 385.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 122311892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).