2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine

C31H32N6 — CID 134421497

About 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine

2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine (PubChem CID 134421497) has the molecular formula C31H32N6 and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine.

Molecular Properties

• Compound Name: 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine
• PubChem CID: 134421497
• Molecular Formula: C31H32N6
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.27
• IUPAC Name: 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine
• SMILES: C=C(CNC)N1[C@@H](C)CC[C@H]1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc[nH]5)ccc4c3)cc2)[nH]1
• InChI: InChI=1S/C31H32N6/c1-20-4-13-30(37(20)21(2)16-32-3)31-34-18-29(36-31)23-7-5-22(6-8-23)24-9-10-26-15-27(12-11-25(26)14-24)28-17-33-19-35-28/h5-12,14-15,17-20,30,32H,2,4,13,16H2,1,3H3,(H,33,35)(H,34,36)/t20-,30-/m0/s1
• InChIKey: PRCGBPAICXGJBX-WRGVRERRSA-N
• XLogP: 6.55
• TPSA: 72.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.64
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine?

The IUPAC name of 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine (CID 134421497) is 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine.

What is the SMILES notation for 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine?

The canonical SMILES for 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine is C=C(CNC)N1[C@@H](C)CC[C@H]1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc[nH]5)ccc4c3)cc2)[nH]1.

What is the InChIKey of 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine?

The InChIKey is PRCGBPAICXGJBX-WRGVRERRSA-N. The full InChI is InChI=1S/C31H32N6/c1-20-4-13-30(37(20)21(2)16-32-3)31-34-18-29(36-31)23-7-5-22(6-8-23)24-9-10-26-15-27(12-11-25(26)14-24)28-17-33-19-35-28/h5-12,14-15,17-20,30,32H,2,4,13,16H2,1,3H3,(H,33,35)(H,34,36)/t20-,30-/m0/s1.

What are the key properties of 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine?

2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine has a molecular weight of 488.64 g/mol, XLogP of 6.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,5S)-2-[5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 134421497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).