N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C26H22ClF3N4O2 — CID 23585264

About N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 23585264) has the molecular formula C26H22ClF3N4O2 and a molecular weight of 514.94 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• PubChem CID: 23585264
• Molecular Formula: C26H22ClF3N4O2
• Molecular Weight: 514.94 g/mol
• Exact Mass: 514.14
• IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• SMILES: O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2C1
• InChI: InChI=1S/C26H22ClF3N4O2/c27-21-7-6-17(13-20(21)26(28,29)30)34-25(35)16-5-4-15-2-1-3-23(19(15)12-16)36-18-8-9-31-22(14-18)24-32-10-11-33-24/h1-3,6-9,13-14,16H,4-5,10-12H2,(H,32,33)(H,34,35)
• InChIKey: KKDKDSAPTMMODT-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 75.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.94
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 23585264) is N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2C1.

What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The InChIKey is KKDKDSAPTMMODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N4O2/c27-21-7-6-17(13-20(21)26(28,29)30)34-25(35)16-5-4-15-2-1-3-23(19(15)12-16)36-18-8-9-31-22(14-18)24-32-10-11-33-24/h1-3,6-9,13-14,16H,4-5,10-12H2,(H,32,33)(H,34,35).

What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 514.94 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 23585264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).