dichlorozinc;1-hexyl-3-methyl-2H-imidazole

C10H20Cl2N2Zn — CID 174760028

IUPACdichlorozinc;1-hexyl-3-methyl-2H-imidazole
SMILESCCCCCCN1C=CN(C)C1.Cl[Zn]Cl
InChIInChI=1S/C10H20N2.2ClH.Zn/c1-3-4-5-6-7-12-9-8-11(2)10-12;;;/h8-9H,3-7,10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyZQNZVBIROOWMGC-UHFFFAOYSA-L
MW304.58 g/mol
LogP3.62
Rot. Bonds5

About dichlorozinc;1-hexyl-3-methyl-2H-imidazole

dichlorozinc;1-hexyl-3-methyl-2H-imidazole (PubChem CID 174760028) has the molecular formula C10H20Cl2N2Zn and a molecular weight of 304.58 g/mol. Its IUPAC name is dichlorozinc;1-hexyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Namedichlorozinc;1-hexyl-3-methyl-2H-imidazole
PubChem CID174760028
Molecular FormulaC10H20Cl2N2Zn
Molecular Weight304.58 g/mol
Exact Mass302.03
IUPAC Namedichlorozinc;1-hexyl-3-methyl-2H-imidazole
SMILESCCCCCCN1C=CN(C)C1.Cl[Zn]Cl
InChIInChI=1S/C10H20N2.2ClH.Zn/c1-3-4-5-6-7-12-9-8-11(2)10-12;;;/h8-9H,3-7,10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyZQNZVBIROOWMGC-UHFFFAOYSA-L
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium
CID 162018722
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-hexyl-3-methyl-2H-imidazole acetate
CID 162278554
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929

Frequently Asked Questions

What is the IUPAC name of dichlorozinc;1-hexyl-3-methyl-2H-imidazole?
The IUPAC name of dichlorozinc;1-hexyl-3-methyl-2H-imidazole (CID 174760028) is dichlorozinc;1-hexyl-3-methyl-2H-imidazole.
What is the SMILES notation for dichlorozinc;1-hexyl-3-methyl-2H-imidazole?
The canonical SMILES for dichlorozinc;1-hexyl-3-methyl-2H-imidazole is CCCCCCN1C=CN(C)C1.Cl[Zn]Cl.
What is the InChIKey of dichlorozinc;1-hexyl-3-methyl-2H-imidazole?
The InChIKey is ZQNZVBIROOWMGC-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H20N2.2ClH.Zn/c1-3-4-5-6-7-12-9-8-11(2)10-12;;;/h8-9H,3-7,10H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozinc;1-hexyl-3-methyl-2H-imidazole?
dichlorozinc;1-hexyl-3-methyl-2H-imidazole has a molecular weight of 304.58 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;1-hexyl-3-methyl-2H-imidazole is sourced from PubChem (CID 174760028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).