N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide

C27H23F3N4O3 — CID 135245056

About N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide

N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide (PubChem CID 135245056) has the molecular formula C27H23F3N4O3 and a molecular weight of 508.50 g/mol. Its IUPAC name is N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide.

Molecular Properties

• Compound Name: N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide
• PubChem CID: 135245056
• Molecular Formula: C27H23F3N4O3
• Molecular Weight: 508.50 g/mol
• Exact Mass: 508.17
• IUPAC Name: N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide
• SMILES: CCCc1c(Oc2ccc3c(c2)C2C(O3)C2c2nc3ccc(C(F)(F)F)cc3n2C)ccnc1NC=O
• InChI: InChI=1S/C27H23F3N4O3/c1-3-4-16-21(9-10-31-25(16)32-13-35)36-15-6-8-20-17(12-15)22-23(24(22)37-20)26-33-18-7-5-14(27(28,29)30)11-19(18)34(26)2/h5-13,22-24H,3-4H2,1-2H3,(H,31,32,35)
• InChIKey: RJTUTQVGOGAXBA-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.50
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide?

The IUPAC name of N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide (CID 135245056) is N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide.

What is the SMILES notation for N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide?

The canonical SMILES for N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide is CCCc1c(Oc2ccc3c(c2)C2C(O3)C2c2nc3ccc(C(F)(F)F)cc3n2C)ccnc1NC=O.

What is the InChIKey of N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide?

The InChIKey is RJTUTQVGOGAXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O3/c1-3-4-16-21(9-10-31-25(16)32-13-35)36-15-6-8-20-17(12-15)22-23(24(22)37-20)26-33-18-7-5-14(27(28,29)30)11-19(18)34(26)2/h5-13,22-24H,3-4H2,1-2H3,(H,31,32,35).

What are the key properties of N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide?

N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide has a molecular weight of 508.50 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-propyl-2-pyridinyl]formamide is sourced from PubChem (CID 135245056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).