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

C25H25N5O2 — CID 122312986

IUPAC4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C25H25N5O2/c1-17-27-22(30-14-13-26-16-30)15-23(28-17)32-21-11-9-20(10-12-21)29-24(31)18-5-7-19(8-6-18)25(2,3)4/h5-16H,1-4H3,(H,29,31)
InChIKeyRUUYMPNZXJZIPE-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.31
Rot. Bonds5

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

4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide (PubChem CID 122312986) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide
PubChem CID122312986
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C25H25N5O2/c1-17-27-22(30-14-13-26-16-30)15-23(28-17)32-21-11-9-20(10-12-21)29-24(31)18-5-7-19(8-6-18)25(2,3)4/h5-16H,1-4H3,(H,29,31)
InChIKeyRUUYMPNZXJZIPE-UHFFFAOYSA-N
XLogP5.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide
CID 122313208
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]acetamide
CID 122312969
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-thiophen-2-ylbenzamide
CID 122313238
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
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-2-carboxamide
CID 122309228

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide (CID 122312986) is 4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide is Cc1nc(Oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of 4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide?
The InChIKey is RUUYMPNZXJZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-27-22(30-14-13-26-16-30)15-23(28-17)32-21-11-9-20(10-12-21)29-24(31)18-5-7-19(8-6-18)25(2,3)4/h5-16H,1-4H3,(H,29,31).
What are the key properties of 4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide?
4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide has a molecular weight of 427.51 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122312986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).