4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide

C24H18F4N4O2 — CID 59685061

IUPAC4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cccc(Oc2ccnc(-c3ncc[nH]3)c2)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C24H18F4N4O2/c25-20-5-4-16(13-19(20)24(26,27)28)23(33)32-8-6-15-2-1-3-17(12-15)34-18-7-9-29-21(14-18)22-30-10-11-31-22/h1-5,7,9-14H,6,8H2,(H,30,31)(H,32,33)
InChIKeyHWEPEIDAGYXPRN-UHFFFAOYSA-N
MW470.43 g/mol
LogP5.39
Rot. Bonds7

About 4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 59685061) has the molecular formula C24H18F4N4O2 and a molecular weight of 470.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID59685061
Molecular FormulaC24H18F4N4O2
Molecular Weight470.43 g/mol
Exact Mass470.14
IUPAC Name4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cccc(Oc2ccnc(-c3ncc[nH]3)c2)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C24H18F4N4O2/c25-20-5-4-16(13-19(20)24(26,27)28)23(33)32-8-6-15-2-1-3-17(12-15)34-18-7-9-29-21(14-18)22-30-10-11-31-22/h1-5,7,9-14H,6,8H2,(H,30,31)(H,32,33)
InChIKeyHWEPEIDAGYXPRN-UHFFFAOYSA-N
XLogP5.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.43
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide (CID 59685061) is 4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1cccc(Oc2ccnc(-c3ncc[nH]3)c2)c1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HWEPEIDAGYXPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O2/c25-20-5-4-16(13-19(20)24(26,27)28)23(33)32-8-6-15-2-1-3-17(12-15)34-18-7-9-29-21(14-18)22-30-10-11-31-22/h1-5,7,9-14H,6,8H2,(H,30,31)(H,32,33).
What are the key properties of 4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 470.43 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59685061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).