chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene

C33H36AuClN3-3 — CID 172516504

About chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene

chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene (PubChem CID 172516504) has the molecular formula C33H36AuClN3-3 and a molecular weight of 707.09 g/mol. Its IUPAC name is chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene.

Molecular Properties

• Compound Name: chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene
• PubChem CID: 172516504
• Molecular Formula: C33H36AuClN3-3
• Molecular Weight: 707.09 g/mol
• Exact Mass: 706.23
• IUPAC Name: chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene
• SMILES: CC(C)c1cccc(C(C)C)c1N1C=C2C=CC=C(N(C)C)N2[CH-]1.Cl[Au].[c-]1ccccc1-c1[c-]cccc1
• InChI: InChI=1S/C21H28N3.C12H8.Au.ClH/c1-15(2)18-10-8-11-19(16(3)4)21(18)23-13-17-9-7-12-20(22(5)6)24(17)14-23;1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h7-16H,1-6H3;1-7,9H;;1H/q-1;-2;+1;/p-1
• InChIKey: HTJIQNJNZSGLRB-UHFFFAOYSA-M
• XLogP: 8.63
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.09
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene?

The IUPAC name of chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene (CID 172516504) is chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene.

What is the SMILES notation for chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene?

The canonical SMILES for chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene is CC(C)c1cccc(C(C)C)c1N1C=C2C=CC=C(N(C)C)N2[CH-]1.Cl[Au].[c-]1ccccc1-c1[c-]cccc1.

What is the InChIKey of chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene?

The InChIKey is HTJIQNJNZSGLRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H28N3.C12H8.Au.ClH/c1-15(2)18-10-8-11-19(16(3)4)21(18)23-13-17-9-7-12-20(22(5)6)24(17)14-23;1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h7-16H,1-6H3;1-7,9H;;1H/q-1;-2;+1;/p-1.

What are the key properties of chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene?

chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene has a molecular weight of 707.09 g/mol, XLogP of 8.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene is sourced from PubChem (CID 172516504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).