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

C25H19F4N3O2 — CID 46089588

IUPAC3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4cc(F)cc(C(F)(F)F)c4)cc3)[nH]2)cc1
InChIInChI=1S/C25H19F4N3O2/c1-34-21-8-6-16(7-9-21)22-14-30-23(32-22)17-4-2-15(3-5-17)13-31-24(33)18-10-19(25(27,28)29)12-20(26)11-18/h2-12,14H,13H2,1H3,(H,30,32)(H,31,33)
InChIKeyOLQOGVGQTJPFBH-UHFFFAOYSA-N
MW469.44 g/mol
LogP5.84
Rot. Bonds6

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

3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide (PubChem CID 46089588) has the molecular formula C25H19F4N3O2 and a molecular weight of 469.44 g/mol. Its IUPAC name is 3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide
PubChem CID46089588
Molecular FormulaC25H19F4N3O2
Molecular Weight469.44 g/mol
Exact Mass469.14
IUPAC Name3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4cc(F)cc(C(F)(F)F)c4)cc3)[nH]2)cc1
InChIInChI=1S/C25H19F4N3O2/c1-34-21-8-6-16(7-9-21)22-14-30-23(32-22)17-4-2-15(3-5-17)13-31-24(33)18-10-19(25(27,28)29)12-20(26)11-18/h2-12,14H,13H2,1H3,(H,30,32)(H,31,33)
InChIKeyOLQOGVGQTJPFBH-UHFFFAOYSA-N
XLogP5.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.44
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide (CID 46089588) is 3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide is COc1ccc(-c2cnc(-c3ccc(CNC(=O)c4cc(F)cc(C(F)(F)F)c4)cc3)[nH]2)cc1.
What is the InChIKey of 3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is OLQOGVGQTJPFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N3O2/c1-34-21-8-6-16(7-9-21)22-14-30-23(32-22)17-4-2-15(3-5-17)13-31-24(33)18-10-19(25(27,28)29)12-20(26)11-18/h2-12,14H,13H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 469.44 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 46089588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).