2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

C26H23F3N2O — CID 59008082

About 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (PubChem CID 59008082) has the molecular formula C26H23F3N2O and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
• PubChem CID: 59008082
• Molecular Formula: C26H23F3N2O
• Molecular Weight: 436.48 g/mol
• Exact Mass: 436.18
• IUPAC Name: 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
• SMILES: CC(C)(O)c1ccccc1-c1ccc2nc(C3CC3c3cccc(C(F)(F)F)c3)[nH]c2c1
• InChI: InChI=1S/C26H23F3N2O/c1-25(2,32)21-9-4-3-8-18(21)16-10-11-22-23(13-16)31-24(30-22)20-14-19(20)15-6-5-7-17(12-15)26(27,28)29/h3-13,19-20,32H,14H2,1-2H3,(H,30,31)
• InChIKey: PSVWNKMBWXXBFY-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 48.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.48
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?

The IUPAC name of 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (CID 59008082) is 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

What is the SMILES notation for 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?

The canonical SMILES for 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1ccc2nc(C3CC3c3cccc(C(F)(F)F)c3)[nH]c2c1.

What is the InChIKey of 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?

The InChIKey is PSVWNKMBWXXBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O/c1-25(2,32)21-9-4-3-8-18(21)16-10-11-22-23(13-16)31-24(30-22)20-14-19(20)15-6-5-7-17(12-15)26(27,28)29/h3-13,19-20,32H,14H2,1-2H3,(H,30,31).

What are the key properties of 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?

2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol has a molecular weight of 436.48 g/mol, XLogP of 6.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 59008082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).