1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole

C17H32N2 — CID 70405427

IUPAC1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole
SMILESCCCCCCCCC(C)(C)C=C(C)N1C=NCC1
InChIInChI=1S/C17H32N2/c1-5-6-7-8-9-10-11-17(3,4)14-16(2)19-13-12-18-15-19/h14-15H,5-13H2,1-4H3
InChIKeyBRFNBNPJDRYOIA-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.01
Rot. Bonds9

About 1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole

1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole (PubChem CID 70405427) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole
PubChem CID70405427
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole
SMILESCCCCCCCCC(C)(C)C=C(C)N1C=NCC1
InChIInChI=1S/C17H32N2/c1-5-6-7-8-9-10-11-17(3,4)14-16(2)19-13-12-18-15-19/h14-15H,5-13H2,1-4H3
InChIKeyBRFNBNPJDRYOIA-UHFFFAOYSA-N
XLogP5.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.01
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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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole (CID 70405427) is 1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole is CCCCCCCCC(C)(C)C=C(C)N1C=NCC1.
What is the InChIKey of 1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole?
The InChIKey is BRFNBNPJDRYOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-6-7-8-9-10-11-17(3,4)14-16(2)19-13-12-18-15-19/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole?
1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole has a molecular weight of 264.46 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyldodec-2-en-2-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 70405427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).