N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide

C40H30F6N4O2 — CID 10818579

About N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide

N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide (PubChem CID 10818579) has the molecular formula C40H30F6N4O2 and a molecular weight of 712.69 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide.

Molecular Properties

• Compound Name: N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide
• PubChem CID: 10818579
• Molecular Formula: C40H30F6N4O2
• Molecular Weight: 712.69 g/mol
• Exact Mass: 712.23
• IUPAC Name: N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide
• SMILES: O=C(Nc1cccc2c1ncn2CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C40H30F6N4O2/c41-39(42,43)23-47-37(52)38(31-13-5-3-10-28(31)29-11-4-6-14-32(29)38)21-8-22-50-24-48-35-33(15-7-16-34(35)50)49-36(51)30-12-2-1-9-27(30)25-17-19-26(20-18-25)40(44,45)46/h1-7,9-20,24H,8,21-23H2,(H,47,52)(H,49,51)
• InChIKey: ZFCJEIBDUNVLPD-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.69
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide?

The IUPAC name of N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide (CID 10818579) is N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide.

What is the SMILES notation for N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide?

The canonical SMILES for N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide is O=C(Nc1cccc2c1ncn2CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide?

The InChIKey is ZFCJEIBDUNVLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30F6N4O2/c41-39(42,43)23-47-37(52)38(31-13-5-3-10-28(31)29-11-4-6-14-32(29)38)21-8-22-50-24-48-35-33(15-7-16-34(35)50)49-36(51)30-12-2-1-9-27(30)25-17-19-26(20-18-25)40(44,45)46/h1-7,9-20,24H,8,21-23H2,(H,47,52)(H,49,51).

What are the key properties of N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide?

N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide has a molecular weight of 712.69 g/mol, XLogP of 9.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2,2-trifluoroethyl)-9-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]fluorene-9-carboxamide is sourced from PubChem (CID 10818579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).