sodium 1-dodecyl-4,5-dihydroimidazole

C15H30N2Na+ — CID 172834119

IUPACsodium 1-dodecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCN1C=NCC1.[Na+]
InChIInChI=1S/C15H30N2.Na/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17;/h15H,2-14H2,1H3;/q;+1
InChIKeyVXOOOPRKGIJOER-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.26
Rot. Bonds11

About sodium 1-dodecyl-4,5-dihydroimidazole

sodium 1-dodecyl-4,5-dihydroimidazole (PubChem CID 172834119) has the molecular formula C15H30N2Na+ and a molecular weight of 261.41 g/mol. Its IUPAC name is sodium 1-dodecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Namesodium 1-dodecyl-4,5-dihydroimidazole
PubChem CID172834119
Molecular FormulaC15H30N2Na+
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Namesodium 1-dodecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCN1C=NCC1.[Na+]
InChIInChI=1S/C15H30N2.Na/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17;/h15H,2-14H2,1H3;/q;+1
InChIKeyVXOOOPRKGIJOER-UHFFFAOYSA-N
XLogP1.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-4,5-dihydroimidazole
CID 19733963
azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate
CID 173231267
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
CID 70630186
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
dodecakis(1-butyl-4,5-dihydroimidazole);fluorophosphonic acid
CID 173136185
3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane
CID 140625026
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814
chloro-[3-(4,5-dihydroimidazol-1-yl)propyl]-ethyl-propoxysilane
CID 140625067

Frequently Asked Questions

What is the IUPAC name of sodium 1-dodecyl-4,5-dihydroimidazole?
The IUPAC name of sodium 1-dodecyl-4,5-dihydroimidazole (CID 172834119) is sodium 1-dodecyl-4,5-dihydroimidazole.
What is the SMILES notation for sodium 1-dodecyl-4,5-dihydroimidazole?
The canonical SMILES for sodium 1-dodecyl-4,5-dihydroimidazole is CCCCCCCCCCCCN1C=NCC1.[Na+].
What is the InChIKey of sodium 1-dodecyl-4,5-dihydroimidazole?
The InChIKey is VXOOOPRKGIJOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.Na/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17;/h15H,2-14H2,1H3;/q;+1.
What are the key properties of sodium 1-dodecyl-4,5-dihydroimidazole?
sodium 1-dodecyl-4,5-dihydroimidazole has a molecular weight of 261.41 g/mol, XLogP of 1.26, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-dodecyl-4,5-dihydroimidazole is sourced from PubChem (CID 172834119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).