1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide

C26H19F4N5O3 — CID 46208998

About 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide

1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 46208998) has the molecular formula C26H19F4N5O3 and a molecular weight of 525.46 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
• PubChem CID: 46208998
• Molecular Formula: C26H19F4N5O3
• Molecular Weight: 525.46 g/mol
• Exact Mass: 525.14
• IUPAC Name: 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
• SMILES: O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)cc2)CC1
• InChI: InChI=1S/C26H19F4N5O3/c27-15-1-3-16(4-2-15)33-23(36)25(10-11-25)24(37)34-17-5-7-18(8-6-17)38-19-9-12-31-20(13-19)22-32-14-21(35-22)26(28,29)30/h1-9,12-14H,10-11H2,(H,32,35)(H,33,36)(H,34,37)
• InChIKey: MRIYDZNLVBBRQV-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.46
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide (CID 46208998) is 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide is O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)cc2)CC1.

What is the InChIKey of 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The InChIKey is MRIYDZNLVBBRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O3/c27-15-1-3-16(4-2-15)33-23(36)25(10-11-25)24(37)34-17-5-7-18(8-6-17)38-19-9-12-31-20(13-19)22-32-14-21(35-22)26(28,29)30/h1-9,12-14H,10-11H2,(H,32,35)(H,33,36)(H,34,37).

What are the key properties of 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 525.46 g/mol, XLogP of 5.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-(4-fluorophenyl)-1-N-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 46208998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).