N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide

C22H16F3N5O3 — CID 122313208

IUPACN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C22H16F3N5O3/c1-14-27-19(30-11-10-26-13-30)12-20(28-14)32-17-8-4-16(5-9-17)29-21(31)15-2-6-18(7-3-15)33-22(23,24)25/h2-13H,1H3,(H,29,31)
InChIKeyHELOIRKFEPOUAA-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.91
Rot. Bonds6

About N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 122313208) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide
PubChem CID122313208
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC NameN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C22H16F3N5O3/c1-14-27-19(30-11-10-26-13-30)12-20(28-14)32-17-8-4-16(5-9-17)29-21(31)15-2-6-18(7-3-15)33-22(23,24)25/h2-13H,1H3,(H,29,31)
InChIKeyHELOIRKFEPOUAA-UHFFFAOYSA-N
XLogP4.91
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide 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

4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122312986
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122312969
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-thiophen-2-ylbenzamide
CID 122313238
4-tert-butyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309207
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
CID 122313018
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide
CID 122313331
5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
CID 122313019
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-4-phenoxybenzamide
CID 122309414
2-ethyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122312976
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122313187
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide
CID 122312977
4-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309974

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide (CID 122313208) is N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide is Cc1nc(Oc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is HELOIRKFEPOUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c1-14-27-19(30-11-10-26-13-30)12-20(28-14)32-17-8-4-16(5-9-17)29-21(31)15-2-6-18(7-3-15)33-22(23,24)25/h2-13H,1H3,(H,29,31).
What are the key properties of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide?
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 455.40 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122313208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).