3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

C26H20ClF3N4O3 — CID 58674312

IUPAC3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)c1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1
InChIInChI=1S/C26H20ClF3N4O3/c1-15(35)23-14-32-25(34-23)22-13-19(9-10-31-22)37-18-4-2-3-16(11-18)5-8-24(36)33-17-6-7-21(27)20(12-17)26(28,29)30/h2-4,6-7,9-14H,5,8H2,1H3,(H,32,34)(H,33,36)
InChIKeyXXKMOVRIGYQZCI-UHFFFAOYSA-N
MW528.92 g/mol
LogP6.71
Rot. Bonds8

About 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 58674312) has the molecular formula C26H20ClF3N4O3 and a molecular weight of 528.92 g/mol. Its IUPAC name is 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID58674312
Molecular FormulaC26H20ClF3N4O3
Molecular Weight528.92 g/mol
Exact Mass528.12
IUPAC Name3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)c1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1
InChIInChI=1S/C26H20ClF3N4O3/c1-15(35)23-14-32-25(34-23)22-13-19(9-10-31-22)37-18-4-2-3-16(11-18)5-8-24(36)33-17-6-7-21(27)20(12-17)26(28,29)30/h2-4,6-7,9-14H,5,8H2,1H3,(H,32,34)(H,33,36)
InChIKeyXXKMOVRIGYQZCI-UHFFFAOYSA-N
XLogP6.71
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.92
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (CID 58674312) is 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is CC(=O)c1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.
What is the InChIKey of 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XXKMOVRIGYQZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N4O3/c1-15(35)23-14-32-25(34-23)22-13-19(9-10-31-22)37-18-4-2-3-16(11-18)5-8-24(36)33-17-6-7-21(27)20(12-17)26(28,29)30/h2-4,6-7,9-14H,5,8H2,1H3,(H,32,34)(H,33,36).
What are the key properties of 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 528.92 g/mol, XLogP of 6.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 58674312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).