N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide

C25H20F2N4O — CID 129125929

About N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide

N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide (PubChem CID 129125929) has the molecular formula C25H20F2N4O and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide.

Molecular Properties

• Compound Name: N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide
• PubChem CID: 129125929
• Molecular Formula: C25H20F2N4O
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.16
• IUPAC Name: N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide
• SMILES: O=CNc1ccc2c(c1)C(F)(F)c1cc(-c3ccc4nc(C5CCCN5)[nH]c4c3)ccc1-2
• InChI: InChI=1S/C25H20F2N4O/c26-25(27)19-10-14(3-6-17(19)18-7-5-16(29-13-32)12-20(18)25)15-4-8-21-23(11-15)31-24(30-21)22-2-1-9-28-22/h3-8,10-13,22,28H,1-2,9H2,(H,29,32)(H,30,31)
• InChIKey: ZELAMXHETSYSAB-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide?

The IUPAC name of N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide (CID 129125929) is N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide.

What is the SMILES notation for N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide?

The canonical SMILES for N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide is O=CNc1ccc2c(c1)C(F)(F)c1cc(-c3ccc4nc(C5CCCN5)[nH]c4c3)ccc1-2.

What is the InChIKey of N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide?

The InChIKey is ZELAMXHETSYSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O/c26-25(27)19-10-14(3-6-17(19)18-7-5-16(29-13-32)12-20(18)25)15-4-8-21-23(11-15)31-24(30-21)22-2-1-9-28-22/h3-8,10-13,22,28H,1-2,9H2,(H,29,32)(H,30,31).

What are the key properties of N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide?

N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide has a molecular weight of 430.46 g/mol, XLogP of 5.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9,9-difluoro-7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)fluoren-2-yl]formamide is sourced from PubChem (CID 129125929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).