1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine

C27H32N6 — CID 123196921

About 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine

1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine (PubChem CID 123196921) has the molecular formula C27H32N6 and a molecular weight of 440.60 g/mol. Its IUPAC name is 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine
• PubChem CID: 123196921
• Molecular Formula: C27H32N6
• Molecular Weight: 440.60 g/mol
• Exact Mass: 440.27
• IUPAC Name: 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine
• SMILES: CC(C)C(N)c1ncc(-c2ccc3c(c2)Cc2cc(-c4cnc(C(N)C(C)C)[nH]4)ccc2-3)[nH]1
• InChI: InChI=1S/C27H32N6/c1-14(2)24(28)26-30-12-22(32-26)16-5-7-20-18(9-16)11-19-10-17(6-8-21(19)20)23-13-31-27(33-23)25(29)15(3)4/h5-10,12-15,24-25H,11,28-29H2,1-4H3,(H,30,32)(H,31,33)
• InChIKey: ZYXXQJQPMSYMNZ-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 109.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.60
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine?

The IUPAC name of 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine (CID 123196921) is 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine.

What is the SMILES notation for 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine?

The canonical SMILES for 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1ncc(-c2ccc3c(c2)Cc2cc(-c4cnc(C(N)C(C)C)[nH]4)ccc2-3)[nH]1.

What is the InChIKey of 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine?

The InChIKey is ZYXXQJQPMSYMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6/c1-14(2)24(28)26-30-12-22(32-26)16-5-7-20-18(9-16)11-19-10-17(6-8-21(19)20)23-13-31-27(33-23)25(29)15(3)4/h5-10,12-15,24-25H,11,28-29H2,1-4H3,(H,30,32)(H,31,33).

What are the key properties of 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine?

1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 440.60 g/mol, XLogP of 5.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 123196921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).