1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine

C30H36N6 — CID 123848902

About 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine

1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine (PubChem CID 123848902) has the molecular formula C30H36N6 and a molecular weight of 480.66 g/mol. Its IUPAC name is 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine
• PubChem CID: 123848902
• Molecular Formula: C30H36N6
• Molecular Weight: 480.66 g/mol
• Exact Mass: 480.30
• IUPAC Name: 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine
• SMILES: CC(C)C(N)c1ncc(-c2ccc(-c3ccc4cc(C5=CNC(C(N)C(C)C)N5)ccc4c3)cc2)[nH]1
• InChI: InChI=1S/C30H36N6/c1-17(2)27(31)29-33-15-25(35-29)20-7-5-19(6-8-20)21-9-10-23-14-24(12-11-22(23)13-21)26-16-34-30(36-26)28(32)18(3)4/h5-18,27-28,30,34,36H,31-32H2,1-4H3,(H,33,35)
• InChIKey: CHARLPZAUZWOHM-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 104.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.66
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine?

The IUPAC name of 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine (CID 123848902) is 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine.

What is the SMILES notation for 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine?

The canonical SMILES for 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1ncc(-c2ccc(-c3ccc4cc(C5=CNC(C(N)C(C)C)N5)ccc4c3)cc2)[nH]1.

What is the InChIKey of 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine?

The InChIKey is CHARLPZAUZWOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6/c1-17(2)27(31)29-33-15-25(35-29)20-7-5-19(6-8-20)21-9-10-23-14-24(12-11-22(23)13-21)26-16-34-30(36-26)28(32)18(3)4/h5-18,27-28,30,34,36H,31-32H2,1-4H3,(H,33,35).

What are the key properties of 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine?

1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 480.66 g/mol, XLogP of 5.35, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-[4-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 123848902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).