2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide

C33H32FN5O — CID 143871509

About 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide

2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide (PubChem CID 143871509) has the molecular formula C33H32FN5O and a molecular weight of 533.65 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide
• PubChem CID: 143871509
• Molecular Formula: C33H32FN5O
• Molecular Weight: 533.65 g/mol
• Exact Mass: 533.26
• IUPAC Name: 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide
• SMILES: CN(C)CCNc1cc(CCC2c3ccccc3-c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O
• InChI: InChI=1S/C33H32FN5O/c1-39(2)17-16-36-29-18-20(11-14-26(29)32(35)40)10-13-23-22-6-3-4-7-24(22)31-25(23)8-5-9-27(31)33-37-28-15-12-21(34)19-30(28)38-33/h3-9,11-12,14-15,18-19,23,36H,10,13,16-17H2,1-2H3,(H2,35,40)(H,37,38)
• InChIKey: GJXVTNVFLLXFAS-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 87.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.65
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide?

The IUPAC name of 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide (CID 143871509) is 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide.

What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide?

The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide is CN(C)CCNc1cc(CCC2c3ccccc3-c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O.

What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide?

The InChIKey is GJXVTNVFLLXFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN5O/c1-39(2)17-16-36-29-18-20(11-14-26(29)32(35)40)10-13-23-22-6-3-4-7-24(22)31-25(23)8-5-9-27(31)33-37-28-15-12-21(34)19-30(28)38-33/h3-9,11-12,14-15,18-19,23,36H,10,13,16-17H2,1-2H3,(H2,35,40)(H,37,38).

What are the key properties of 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide?

2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide has a molecular weight of 533.65 g/mol, XLogP of 6.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide is sourced from PubChem (CID 143871509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).