4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C29H28F3N3O3 — CID 46502796

IUPAC4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCOc1ccc(CN2C(=O)C(NC(=O)c3ccc(C(C)(C)C)cc3)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C29H28F3N3O3/c1-27(2,3)22-14-12-21(13-15-22)25(36)34-28(29(30,31)32)26(37)35(18-19-10-16-23(38-4)17-11-19)24(33-28)20-8-6-5-7-9-20/h5-17H,18H2,1-4H3,(H,34,36)
InChIKeyKEQZOLOTYKGMBK-UHFFFAOYSA-N
MW523.56 g/mol
LogP5.47
Rot. Bonds6

About 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 46502796) has the molecular formula C29H28F3N3O3 and a molecular weight of 523.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID46502796
Molecular FormulaC29H28F3N3O3
Molecular Weight523.56 g/mol
Exact Mass523.21
IUPAC Name4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCOc1ccc(CN2C(=O)C(NC(=O)c3ccc(C(C)(C)C)cc3)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C29H28F3N3O3/c1-27(2,3)22-14-12-21(13-15-22)25(36)34-28(29(30,31)32)26(37)35(18-19-10-16-23(38-4)17-11-19)24(33-28)20-8-6-5-7-9-20/h5-17H,18H2,1-4H3,(H,34,36)
InChIKeyKEQZOLOTYKGMBK-UHFFFAOYSA-N
XLogP5.47
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.56
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 46502796) is 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is COc1ccc(CN2C(=O)C(NC(=O)c3ccc(C(C)(C)C)cc3)(C(F)(F)F)N=C2c2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is KEQZOLOTYKGMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N3O3/c1-27(2,3)22-14-12-21(13-15-22)25(36)34-28(29(30,31)32)26(37)35(18-19-10-16-23(38-4)17-11-19)24(33-28)20-8-6-5-7-9-20/h5-17H,18H2,1-4H3,(H,34,36).
What are the key properties of 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 523.56 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 46502796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).