1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene

C39H35AuClN2-3 — CID 134962257

About 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene

1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene (PubChem CID 134962257) has the molecular formula C39H35AuClN2-3 and a molecular weight of 764.14 g/mol. Its IUPAC name is 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene.

Molecular Properties

• Compound Name: 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene
• PubChem CID: 134962257
• Molecular Formula: C39H35AuClN2-3
• Molecular Weight: 764.14 g/mol
• Exact Mass: 763.22
• IUPAC Name: 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene
• SMILES: C[C@H](c1cccc2ccccc12)N1[CH-]N([C@H](C)c2cccc3ccccc23)CC1.Cl[Au].[c-]1ccccc1-c1[c-]cccc1
• InChI: InChI=1S/C27H27N2.C12H8.Au.ClH/c1-20(24-15-7-11-22-9-3-5-13-26(22)24)28-17-18-29(19-28)21(2)25-16-8-12-23-10-4-6-14-27(23)25;1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h3-16,19-21H,17-18H2,1-2H3;1-7,9H;;1H/q-1;-2;+1;/p-1/t20-,21-;;;/m1.../s1
• InChIKey: QCOYOMBUGQFWBX-AGEKDOICSA-M
• XLogP: 10.19
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.14
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene?

The IUPAC name of 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene (CID 134962257) is 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene.

What is the SMILES notation for 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene?

The canonical SMILES for 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene is C[C@H](c1cccc2ccccc12)N1[CH-]N([C@H](C)c2cccc3ccccc23)CC1.Cl[Au].[c-]1ccccc1-c1[c-]cccc1.

What is the InChIKey of 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene?

The InChIKey is QCOYOMBUGQFWBX-AGEKDOICSA-M. The full InChI is InChI=1S/C27H27N2.C12H8.Au.ClH/c1-20(24-15-7-11-22-9-3-5-13-26(22)24)28-17-18-29(19-28)21(2)25-16-8-12-23-10-4-6-14-27(23)25;1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h3-16,19-21H,17-18H2,1-2H3;1-7,9H;;1H/q-1;-2;+1;/p-1/t20-,21-;;;/m1.../s1.

What are the key properties of 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene?

1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene has a molecular weight of 764.14 g/mol, XLogP of 10.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene is sourced from PubChem (CID 134962257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).