N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide

C24H22F3N5O2 — CID 58674611

IUPACN-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
SMILESNc1cc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H22F3N5O2/c25-24(26,27)16-11-17(28)13-18(12-16)32-22(33)5-4-15-2-1-3-19(10-15)34-20-6-7-29-21(14-20)23-30-8-9-31-23/h1-3,6-7,10-14H,4-5,8-9,28H2,(H,30,31)(H,32,33)
InChIKeyKPQDHBAZXMCUOI-UHFFFAOYSA-N
MW469.47 g/mol
LogP4.40
Rot. Bonds7

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

N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (PubChem CID 58674611) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
PubChem CID58674611
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC NameN-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
SMILESNc1cc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H22F3N5O2/c25-24(26,27)16-11-17(28)13-18(12-16)32-22(33)5-4-15-2-1-3-19(10-15)34-20-6-7-29-21(14-20)23-30-8-9-31-23/h1-3,6-7,10-14H,4-5,8-9,28H2,(H,30,31)(H,32,33)
InChIKeyKPQDHBAZXMCUOI-UHFFFAOYSA-N
XLogP4.40
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[3-fluoro-5-(trifluoromethyl)phenyl]propanamide
CID 58674427
N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 68684867
N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]prop-2-enamide
CID 68682781
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 11532260
3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-methylphenyl)propanamide
CID 58674307
N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 143262869
4-[3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]phenoxy]pyridine-2-carboxamide
CID 11683382
lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide
CID 157238575
3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 68686739
N-[3-bromo-5-(trifluoromethyl)phenyl]-3-[3-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide
CID 58674568
4-[3-[3-[3-(2-aminoethyl)-5-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674619
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]quinoline-3-carboxamide
CID 66721302

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The IUPAC name of N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (CID 58674611) is N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.
What is the SMILES notation for N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The canonical SMILES for N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is Nc1cc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The InChIKey is KPQDHBAZXMCUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c25-24(26,27)16-11-17(28)13-18(12-16)32-22(33)5-4-15-2-1-3-19(10-15)34-20-6-7-29-21(14-20)23-30-8-9-31-23/h1-3,6-7,10-14H,4-5,8-9,28H2,(H,30,31)(H,32,33).
What are the key properties of N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide has a molecular weight of 469.47 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is sourced from PubChem (CID 58674611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).