2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

C24H18F3N3O2 — CID 46089595

IUPAC2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4ccc(F)c(F)c4F)cc3)[nH]2)cc1
InChIInChI=1S/C24H18F3N3O2/c1-32-17-8-6-15(7-9-17)20-13-28-23(30-20)16-4-2-14(3-5-16)12-29-24(31)18-10-11-19(25)22(27)21(18)26/h2-11,13H,12H2,1H3,(H,28,30)(H,29,31)
InChIKeyZLUATXJDFJCFPO-UHFFFAOYSA-N
MW437.42 g/mol
LogP5.10
Rot. Bonds6

About 2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (PubChem CID 46089595) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
PubChem CID46089595
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC Name2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4ccc(F)c(F)c4F)cc3)[nH]2)cc1
InChIInChI=1S/C24H18F3N3O2/c1-32-17-8-6-15(7-9-17)20-13-28-23(30-20)16-4-2-14(3-5-16)12-29-24(31)18-10-11-19(25)22(27)21(18)26/h2-11,13H,12H2,1H3,(H,28,30)(H,29,31)
InChIKeyZLUATXJDFJCFPO-UHFFFAOYSA-N
XLogP5.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (CID 46089595) is 2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is COc1ccc(-c2cnc(-c3ccc(CNC(=O)c4ccc(F)c(F)c4F)cc3)[nH]2)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is ZLUATXJDFJCFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c1-32-17-8-6-15(7-9-17)20-13-28-23(30-20)16-4-2-14(3-5-16)12-29-24(31)18-10-11-19(25)22(27)21(18)26/h2-11,13H,12H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 437.42 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 46089595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).