2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole

C22H42N4 — CID 91149144

IUPAC2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole
SMILESCCCCCCCCCCC(CC1=NCC(C)(C)N1)C1=NCC(C)(C)N1
InChIInChI=1S/C22H42N4/c1-6-7-8-9-10-11-12-13-14-18(20-24-17-22(4,5)26-20)15-19-23-16-21(2,3)25-19/h18H,6-17H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyRHLWMWPSJOGVGC-UHFFFAOYSA-N
MW362.61 g/mol
LogP5.08
Rot. Bonds12

About 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole

2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole (PubChem CID 91149144) has the molecular formula C22H42N4 and a molecular weight of 362.61 g/mol. Its IUPAC name is 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole
PubChem CID91149144
Molecular FormulaC22H42N4
Molecular Weight362.61 g/mol
Exact Mass362.34
IUPAC Name2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole
SMILESCCCCCCCCCCC(CC1=NCC(C)(C)N1)C1=NCC(C)(C)N1
InChIInChI=1S/C22H42N4/c1-6-7-8-9-10-11-12-13-14-18(20-24-17-22(4,5)26-20)15-19-23-16-21(2,3)25-19/h18H,6-17H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyRHLWMWPSJOGVGC-UHFFFAOYSA-N
XLogP5.08
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.61
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole with MolForge

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Related Compounds

2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole
CID 19825947
2-tridecan-3-yl-4,5-dihydro-1H-imidazole
CID 22280920
2-henicosan-11-yl-4,4-dimethyl-5H-1,3-oxazole
CID 13410462
5,5-ditert-butyl-2-undecyl-1,4-dihydroimidazole
CID 70405988
20,26-di(heptadecyl)pentatetracontane
CID 102213068
7-pentylpentacosane
CID 91214353
17-pentylhexatriacontane
CID 91327833
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole?
The IUPAC name of 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole (CID 91149144) is 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole.
What is the SMILES notation for 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole?
The canonical SMILES for 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole is CCCCCCCCCCC(CC1=NCC(C)(C)N1)C1=NCC(C)(C)N1.
What is the InChIKey of 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole?
The InChIKey is RHLWMWPSJOGVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4/c1-6-7-8-9-10-11-12-13-14-18(20-24-17-22(4,5)26-20)15-19-23-16-21(2,3)25-19/h18H,6-17H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole?
2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole has a molecular weight of 362.61 g/mol, XLogP of 5.08, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)dodecan-2-yl]-5,5-dimethyl-1,4-dihydroimidazole is sourced from PubChem (CID 91149144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).