9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine

C25H22F2N4 — CID 145305491

About 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine

9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine (PubChem CID 145305491) has the molecular formula C25H22F2N4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine
• PubChem CID: 145305491
• Molecular Formula: C25H22F2N4
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine
• SMILES: CN1CCCC1c1nc2ccc(-c3ccc4c(c3)C(F)(F)c3cc(N)ccc3-4)cc2[nH]1
• InChI: InChI=1S/C25H22F2N4/c1-31-10-2-3-23(31)24-29-21-9-5-15(12-22(21)30-24)14-4-7-17-18-8-6-16(28)13-20(18)25(26,27)19(17)11-14/h4-9,11-13,23H,2-3,10,28H2,1H3,(H,29,30)
• InChIKey: NNNKIOGKEPITND-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 57.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine?

The IUPAC name of 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine (CID 145305491) is 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine.

What is the SMILES notation for 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine?

The canonical SMILES for 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine is CN1CCCC1c1nc2ccc(-c3ccc4c(c3)C(F)(F)c3cc(N)ccc3-4)cc2[nH]1.

What is the InChIKey of 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine?

The InChIKey is NNNKIOGKEPITND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4/c1-31-10-2-3-23(31)24-29-21-9-5-15(12-22(21)30-24)14-4-7-17-18-8-6-16(28)13-20(18)25(26,27)19(17)11-14/h4-9,11-13,23H,2-3,10,28H2,1H3,(H,29,30).

What are the key properties of 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine?

9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine has a molecular weight of 416.48 g/mol, XLogP of 5.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine is sourced from PubChem (CID 145305491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).