bis(1-decyl-2-methylimidazole);dihydrochloride

C28H54Cl2N4 — CID 173324377

IUPACbis(1-decyl-2-methylimidazole);dihydrochloride
SMILESCCCCCCCCCCn1ccnc1C.CCCCCCCCCCn1ccnc1C.Cl.Cl
InChIInChI=1S/2C14H26N2.2ClH/c2*1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2;;/h2*11,13H,3-10,12H2,1-2H3;2*1H
InChIKeySMERMXRSVPPALK-UHFFFAOYSA-N
MW517.67 g/mol
LogP9.51
Rot. Bonds18

About bis(1-decyl-2-methylimidazole);dihydrochloride

bis(1-decyl-2-methylimidazole);dihydrochloride (PubChem CID 173324377) has the molecular formula C28H54Cl2N4 and a molecular weight of 517.67 g/mol. Its IUPAC name is bis(1-decyl-2-methylimidazole);dihydrochloride.

Molecular Properties

Compound Namebis(1-decyl-2-methylimidazole);dihydrochloride
PubChem CID173324377
Molecular FormulaC28H54Cl2N4
Molecular Weight517.67 g/mol
Exact Mass516.37
IUPAC Namebis(1-decyl-2-methylimidazole);dihydrochloride
SMILESCCCCCCCCCCn1ccnc1C.CCCCCCCCCCn1ccnc1C.Cl.Cl
InChIInChI=1S/2C14H26N2.2ClH/c2*1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2;;/h2*11,13H,3-10,12H2,1-2H3;2*1H
InChIKeySMERMXRSVPPALK-UHFFFAOYSA-N
XLogP9.51
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-octylimidazole;hydrate
CID 174602652
fluoroform;1-hexyl-2-methylimidazole
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CID 54514402
1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide
CID 175335036
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527

Frequently Asked Questions

What is the IUPAC name of bis(1-decyl-2-methylimidazole);dihydrochloride?
The IUPAC name of bis(1-decyl-2-methylimidazole);dihydrochloride (CID 173324377) is bis(1-decyl-2-methylimidazole);dihydrochloride.
What is the SMILES notation for bis(1-decyl-2-methylimidazole);dihydrochloride?
The canonical SMILES for bis(1-decyl-2-methylimidazole);dihydrochloride is CCCCCCCCCCn1ccnc1C.CCCCCCCCCCn1ccnc1C.Cl.Cl.
What is the InChIKey of bis(1-decyl-2-methylimidazole);dihydrochloride?
The InChIKey is SMERMXRSVPPALK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H26N2.2ClH/c2*1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2;;/h2*11,13H,3-10,12H2,1-2H3;2*1H.
What are the key properties of bis(1-decyl-2-methylimidazole);dihydrochloride?
bis(1-decyl-2-methylimidazole);dihydrochloride has a molecular weight of 517.67 g/mol, XLogP of 9.51, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-decyl-2-methylimidazole);dihydrochloride is sourced from PubChem (CID 173324377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).