chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole

C16H19ClN2Zn — CID 58163184

IUPACchlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole
SMILESCc1cnc(-c2[c-]cccc2)n1C1CCCCC1.Cl[Zn+]
InChIInChI=1S/C16H19N2.ClH.Zn/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;;/h2,4-5,8,12,15H,3,6-7,10-11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPCWZHJGMLAHTCG-UHFFFAOYSA-M
MW340.19 g/mol
LogP4.85
Rot. Bonds2

About chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole

chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole (PubChem CID 58163184) has the molecular formula C16H19ClN2Zn and a molecular weight of 340.19 g/mol. Its IUPAC name is chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole.

Molecular Properties

Compound Namechlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole
PubChem CID58163184
Molecular FormulaC16H19ClN2Zn
Molecular Weight340.19 g/mol
Exact Mass338.05
IUPAC Namechlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole
SMILESCc1cnc(-c2[c-]cccc2)n1C1CCCCC1.Cl[Zn+]
InChIInChI=1S/C16H19N2.ClH.Zn/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;;/h2,4-5,8,12,15H,3,6-7,10-11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPCWZHJGMLAHTCG-UHFFFAOYSA-M
XLogP4.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole?
The IUPAC name of chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole (CID 58163184) is chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole.
What is the SMILES notation for chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole?
The canonical SMILES for chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole is Cc1cnc(-c2[c-]cccc2)n1C1CCCCC1.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole?
The InChIKey is PCWZHJGMLAHTCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H19N2.ClH.Zn/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;;/h2,4-5,8,12,15H,3,6-7,10-11H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole?
chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole has a molecular weight of 340.19 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);1-cyclohexyl-5-methyl-2-phenylimidazole is sourced from PubChem (CID 58163184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).