7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide

C27H23F3N4O2 — CID 143482529

About 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide

7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide (PubChem CID 143482529) has the molecular formula C27H23F3N4O2 and a molecular weight of 492.50 g/mol. Its IUPAC name is 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
• PubChem CID: 143482529
• Molecular Formula: C27H23F3N4O2
• Molecular Weight: 492.50 g/mol
• Exact Mass: 492.18
• IUPAC Name: 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
• SMILES: Cc1ccc(NC(=O)C2=Cc3cc(Oc4ccnc(C5=NCCN5)c4)ccc3CC2)cc1C(F)(F)F
• InChI: InChI=1S/C27H23F3N4O2/c1-16-2-6-20(14-23(16)27(28,29)30)34-26(35)18-4-3-17-5-7-21(13-19(17)12-18)36-22-8-9-31-24(15-22)25-32-10-11-33-25/h2,5-9,12-15H,3-4,10-11H2,1H3,(H,32,33)(H,34,35)
• InChIKey: ANVOJAPZYPLNTB-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 75.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.50
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide?

The IUPAC name of 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide (CID 143482529) is 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide.

What is the SMILES notation for 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide?

The canonical SMILES for 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide is Cc1ccc(NC(=O)C2=Cc3cc(Oc4ccnc(C5=NCCN5)c4)ccc3CC2)cc1C(F)(F)F.

What is the InChIKey of 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide?

The InChIKey is ANVOJAPZYPLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O2/c1-16-2-6-20(14-23(16)27(28,29)30)34-26(35)18-4-3-17-5-7-21(13-19(17)12-18)36-22-8-9-31-24(15-22)25-32-10-11-33-25/h2,5-9,12-15H,3-4,10-11H2,1H3,(H,32,33)(H,34,35).

What are the key properties of 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide?

7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 143482529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).