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

C25H19F4N3O2 — CID 46089589

IUPAC4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4ccc(F)c(C(F)(F)F)c4)cc3)[nH]2)cc1
InChIInChI=1S/C25H19F4N3O2/c1-34-19-9-6-16(7-10-19)22-14-30-23(32-22)17-4-2-15(3-5-17)13-31-24(33)18-8-11-21(26)20(12-18)25(27,28)29/h2-12,14H,13H2,1H3,(H,30,32)(H,31,33)
InChIKeyKDFGFTXKHDALSZ-UHFFFAOYSA-N
MW469.44 g/mol
LogP5.84
Rot. Bonds6

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

4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 46089589) has the molecular formula C25H19F4N3O2 and a molecular weight of 469.44 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID46089589
Molecular FormulaC25H19F4N3O2
Molecular Weight469.44 g/mol
Exact Mass469.14
IUPAC Name4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4ccc(F)c(C(F)(F)F)c4)cc3)[nH]2)cc1
InChIInChI=1S/C25H19F4N3O2/c1-34-19-9-6-16(7-10-19)22-14-30-23(32-22)17-4-2-15(3-5-17)13-31-24(33)18-8-11-21(26)20(12-18)25(27,28)29/h2-12,14H,13H2,1H3,(H,30,32)(H,31,33)
InChIKeyKDFGFTXKHDALSZ-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

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

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Related Compounds

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CID 11250029
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CID 10837934
7-(4-methoxyphenyl)-2-[4-(piperidin-1-ylcarbonyl)phenyl]-3H-imidazo[4,5-b]pyridine
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CID 44565824
N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)-6-imidazo[1,2-a]pyrazinyl]benzamide
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CID 49787836
(4-fluorophenyl)-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]methanone
CID 49787989
N-cyclopropyl-4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 66554609
Hedgehog IN-2
CID 67374621

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide (CID 46089589) is 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide is COc1ccc(-c2cnc(-c3ccc(CNC(=O)c4ccc(F)c(C(F)(F)F)c4)cc3)[nH]2)cc1.
What is the InChIKey of 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KDFGFTXKHDALSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N3O2/c1-34-19-9-6-16(7-10-19)22-14-30-23(32-22)17-4-2-15(3-5-17)13-31-24(33)18-8-11-21(26)20(12-18)25(27,28)29/h2-12,14H,13H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(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 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46089589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).