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

C27H30N4O2 — CID 68684867

IUPACN-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc1
InChIInChI=1S/C27H30N4O2/c1-27(2,3)20-8-10-21(11-9-20)31-25(32)12-7-19-5-4-6-22(17-19)33-23-13-14-28-24(18-23)26-29-15-16-30-26/h4-6,8-11,13-14,17-18H,7,12,15-16H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyKUEYZWZIMABSJN-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.09
Rot. Bonds7

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

N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (PubChem CID 68684867) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
PubChem CID68684867
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc1
InChIInChI=1S/C27H30N4O2/c1-27(2,3)20-8-10-21(11-9-20)31-25(32)12-7-19-5-4-6-22(17-19)33-23-13-14-28-24(18-23)26-29-15-16-30-26/h4-6,8-11,13-14,17-18H,7,12,15-16H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyKUEYZWZIMABSJN-UHFFFAOYSA-N
XLogP5.09
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 58674611
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
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
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
3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide
CID 162582215
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
4-[3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]phenoxy]pyridine-2-carboxamide
CID 11683382
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 58674620
(E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 58674534
3-[3-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 58674525

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (CID 68684867) is N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is CC(C)(C)c1ccc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The InChIKey is KUEYZWZIMABSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-27(2,3)20-8-10-21(11-9-20)31-25(32)12-7-19-5-4-6-22(17-19)33-23-13-14-28-24(18-23)26-29-15-16-30-26/h4-6,8-11,13-14,17-18H,7,12,15-16H2,1-3H3,(H,29,30)(H,31,32).
What are the key properties of N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide has a molecular weight of 442.56 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is sourced from PubChem (CID 68684867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).