2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole

C17H34N2 — CID 19825947

IUPAC2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole
SMILESCCCCCCCCCCC(C)C1=NCC(C)(C)N1
InChIInChI=1S/C17H34N2/c1-5-6-7-8-9-10-11-12-13-15(2)16-18-14-17(3,4)19-16/h15H,5-14H2,1-4H3,(H,18,19)
InChIKeyCCPITOOEHSSMTG-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.93
Rot. Bonds10

About 2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole

2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole (PubChem CID 19825947) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole
PubChem CID19825947
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole
SMILESCCCCCCCCCCC(C)C1=NCC(C)(C)N1
InChIInChI=1S/C17H34N2/c1-5-6-7-8-9-10-11-12-13-15(2)16-18-14-17(3,4)19-16/h15H,5-14H2,1-4H3,(H,18,19)
InChIKeyCCPITOOEHSSMTG-UHFFFAOYSA-N
XLogP4.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole
CID 91149144
5-octadecan-2-yl-1H-1,2,4-triazole
CID 157179819
2-decan-2-yl-4,5-dihydro-1,3-oxazole
CID 19825999
(2-decan-2-yl-4-methyl-5H-1,3-oxazol-4-yl)methanol
CID 19844010
N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol
CID 67821023
2-decan-2-yl-3-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 134893765
2-tridecan-3-yl-4,5-dihydro-1H-imidazole
CID 22280920
1-decan-2-yl-3-ethylbenzene
CID 123801933
4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine
CID 143716521
11,12-dimethyltricosane
CID 173430605

Frequently Asked Questions

What is the IUPAC name of 2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole?
The IUPAC name of 2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole (CID 19825947) is 2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole.
What is the SMILES notation for 2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole?
The canonical SMILES for 2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole is CCCCCCCCCCC(C)C1=NCC(C)(C)N1.
What is the InChIKey of 2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole?
The InChIKey is CCPITOOEHSSMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-6-7-8-9-10-11-12-13-15(2)16-18-14-17(3,4)19-16/h15H,5-14H2,1-4H3,(H,18,19).
What are the key properties of 2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole?
2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole has a molecular weight of 266.47 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole is sourced from PubChem (CID 19825947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).