copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride

C31H28ClCuN3 — CID 87254270

IUPACcopper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride
SMILESCc1cc(C)c(N2[CH-]N3C(=N[C@@H](c4ccccc4)[C@@H]3c3ccccc3)c3ccccc32)c(C)c1.[Cl-].[Cu+2]
InChIInChI=1S/C31H28N3.ClH.Cu/c1-21-18-22(2)29(23(3)19-21)33-20-34-30(25-14-8-5-9-15-25)28(24-12-6-4-7-13-24)32-31(34)26-16-10-11-17-27(26)33;;/h4-20,28,30H,1-3H3;1H;/q-1;;+2/p-1/t28-,30-;;/m0../s1
InChIKeyCLAUWNIJIYFBKL-HNQRYHMESA-M
MW541.59 g/mol
LogP4.43
Rot. Bonds3

About copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride

copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride (PubChem CID 87254270) has the molecular formula C31H28ClCuN3 and a molecular weight of 541.59 g/mol. Its IUPAC name is copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride.

Molecular Properties

Compound Namecopper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride
PubChem CID87254270
Molecular FormulaC31H28ClCuN3
Molecular Weight541.59 g/mol
Exact Mass540.13
IUPAC Namecopper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride
SMILESCc1cc(C)c(N2[CH-]N3C(=N[C@@H](c4ccccc4)[C@@H]3c3ccccc3)c3ccccc32)c(C)c1.[Cl-].[Cu+2]
InChIInChI=1S/C31H28N3.ClH.Cu/c1-21-18-22(2)29(23(3)19-21)33-20-34-30(25-14-8-5-9-15-25)28(24-12-6-4-7-13-24)32-31(34)26-16-10-11-17-27(26)33;;/h4-20,28,30H,1-3H3;1H;/q-1;;+2/p-1/t28-,30-;;/m0../s1
InChIKeyCLAUWNIJIYFBKL-HNQRYHMESA-M
XLogP4.43
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.59
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride?
The IUPAC name of copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride (CID 87254270) is copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride.
What is the SMILES notation for copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride?
The canonical SMILES for copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride is Cc1cc(C)c(N2[CH-]N3C(=N[C@@H](c4ccccc4)[C@@H]3c3ccccc3)c3ccccc32)c(C)c1.[Cl-].[Cu+2].
What is the InChIKey of copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride?
The InChIKey is CLAUWNIJIYFBKL-HNQRYHMESA-M. The full InChI is InChI=1S/C31H28N3.ClH.Cu/c1-21-18-22(2)29(23(3)19-21)33-20-34-30(25-14-8-5-9-15-25)28(24-12-6-4-7-13-24)32-31(34)26-16-10-11-17-27(26)33;;/h4-20,28,30H,1-3H3;1H;/q-1;;+2/p-1/t28-,30-;;/m0../s1.
What are the key properties of copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride?
copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride has a molecular weight of 541.59 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride is sourced from PubChem (CID 87254270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).