(1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine

C28H34N6Si — CID 89467190

About (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine

(1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine (PubChem CID 89467190) has the molecular formula C28H34N6Si and a molecular weight of 482.71 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine.

Molecular Properties

• Compound Name: (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine
• PubChem CID: 89467190
• Molecular Formula: C28H34N6Si
• Molecular Weight: 482.71 g/mol
• Exact Mass: 482.26
• IUPAC Name: (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine
• SMILES: C[Si]1(C)CN[C@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H](N)CC6CC6)[nH]5)cc4)cc3)[nH]2)C1
• InChI: InChI=1S/C28H34N6Si/c1-35(2)16-26(32-17-35)28-31-15-25(34-28)22-11-7-20(8-12-22)19-5-9-21(10-6-19)24-14-30-27(33-24)23(29)13-18-3-4-18/h5-12,14-15,18,23,26,32H,3-4,13,16-17,29H2,1-2H3,(H,30,33)(H,31,34)/t23-,26-/m0/s1
• InChIKey: HKHRXQNQBWYDJW-OZXSUGGESA-N
• XLogP: 5.83
• TPSA: 95.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.71
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine?

The IUPAC name of (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine (CID 89467190) is (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine.

What is the SMILES notation for (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine?

The canonical SMILES for (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine is C[Si]1(C)CN[C@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H](N)CC6CC6)[nH]5)cc4)cc3)[nH]2)C1.

What is the InChIKey of (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine?

The InChIKey is HKHRXQNQBWYDJW-OZXSUGGESA-N. The full InChI is InChI=1S/C28H34N6Si/c1-35(2)16-26(32-17-35)28-31-15-25(34-28)22-11-7-20(8-12-22)19-5-9-21(10-6-19)24-14-30-27(33-24)23(29)13-18-3-4-18/h5-12,14-15,18,23,26,32H,3-4,13,16-17,29H2,1-2H3,(H,30,33)(H,31,34)/t23-,26-/m0/s1.

What are the key properties of (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine?

(1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine has a molecular weight of 482.71 g/mol, XLogP of 5.83, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-2-cyclopropyl-1-[5-[4-[4-[2-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 89467190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).