chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide

C30H39ClN4Zn — CID 162265411

IUPACchlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide
SMILESCC(C)c1cccc(C(C)C)c1-n1[c-]ncc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1.Cl[Zn+]
InChIInChI=1S/C15H20N2.C15H19N2.ClH.Zn/c2*1-11(2)13-6-5-7-14(12(3)4)15(13)17-9-8-16-10-17;;/h5-12H,1-4H3;5-9,11-12H,1-4H3;1H;/q;-1;;+2/p-1
InChIKeyJOLQMZXDKVSYKP-UHFFFAOYSA-M
MW556.51 g/mol
LogP8.73
Rot. Bonds6

About chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide

chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide (PubChem CID 162265411) has the molecular formula C30H39ClN4Zn and a molecular weight of 556.51 g/mol. Its IUPAC name is chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide.

Molecular Properties

Compound Namechlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide
PubChem CID162265411
Molecular FormulaC30H39ClN4Zn
Molecular Weight556.51 g/mol
Exact Mass554.22
IUPAC Namechlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide
SMILESCC(C)c1cccc(C(C)C)c1-n1[c-]ncc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1.Cl[Zn+]
InChIInChI=1S/C15H20N2.C15H19N2.ClH.Zn/c2*1-11(2)13-6-5-7-14(12(3)4)15(13)17-9-8-16-10-17;;/h5-12H,1-4H3;5-9,11-12H,1-4H3;1H;/q;-1;;+2/p-1
InChIKeyJOLQMZXDKVSYKP-UHFFFAOYSA-M
XLogP8.73
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.51
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide?
The IUPAC name of chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide (CID 162265411) is chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide.
What is the SMILES notation for chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide?
The canonical SMILES for chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide is CC(C)c1cccc(C(C)C)c1-n1[c-]ncc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide?
The InChIKey is JOLQMZXDKVSYKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20N2.C15H19N2.ClH.Zn/c2*1-11(2)13-6-5-7-14(12(3)4)15(13)17-9-8-16-10-17;;/h5-12H,1-4H3;5-9,11-12H,1-4H3;1H;/q;-1;;+2/p-1.
What are the key properties of chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide?
chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide has a molecular weight of 556.51 g/mol, XLogP of 8.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide is sourced from PubChem (CID 162265411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).