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

C26H22F3N3O3 — CID 15987560

IUPACN-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide
SMILESCOc1ccc(CN2C(=O)C(NC(=O)c3ccc(C)cc3)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C26H22F3N3O3/c1-17-8-12-20(13-9-17)23(33)31-25(26(27,28)29)24(34)32(16-18-10-14-21(35-2)15-11-18)22(30-25)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,31,33)
InChIKeyZKIAIAGHJBHRQY-UHFFFAOYSA-N
MW481.47 g/mol
LogP4.48
Rot. Bonds6

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

N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide (PubChem CID 15987560) has the molecular formula C26H22F3N3O3 and a molecular weight of 481.47 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide
PubChem CID15987560
Molecular FormulaC26H22F3N3O3
Molecular Weight481.47 g/mol
Exact Mass481.16
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide
SMILESCOc1ccc(CN2C(=O)C(NC(=O)c3ccc(C)cc3)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C26H22F3N3O3/c1-17-8-12-20(13-9-17)23(33)31-25(26(27,28)29)24(34)32(16-18-10-14-21(35-2)15-11-18)22(30-25)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,31,33)
InChIKeyZKIAIAGHJBHRQY-UHFFFAOYSA-N
XLogP4.48
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide (CID 15987560) is N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide is COc1ccc(CN2C(=O)C(NC(=O)c3ccc(C)cc3)(C(F)(F)F)N=C2c2ccccc2)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide?
The InChIKey is ZKIAIAGHJBHRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O3/c1-17-8-12-20(13-9-17)23(33)31-25(26(27,28)29)24(34)32(16-18-10-14-21(35-2)15-11-18)22(30-25)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,31,33).
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide?
N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide has a molecular weight of 481.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 15987560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).