2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole

C22H44N2 — CID 69395899

IUPAC2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(CCC)C1C(C)C
InChIInChI=1S/C22H44N2/c1-5-7-8-9-10-11-12-13-14-15-16-18-24-20-19-23(17-6-2)22(24)21(3)4/h19-22H,5-18H2,1-4H3
InChIKeyQJDLWIUTFYULIG-UHFFFAOYSA-N
MW336.61 g/mol
LogP6.78
Rot. Bonds15

About 2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole

2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole (PubChem CID 69395899) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole
PubChem CID69395899
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(CCC)C1C(C)C
InChIInChI=1S/C22H44N2/c1-5-7-8-9-10-11-12-13-14-15-16-18-24-20-19-23(17-6-2)22(24)21(3)4/h19-22H,5-18H2,1-4H3
InChIKeyQJDLWIUTFYULIG-UHFFFAOYSA-N
XLogP6.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 56.78
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-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole
CID 69390848
1-dodecyl-3-octyl-2-propan-2-yl-2H-imidazole
CID 69391159
1-nonyl-3-pentyl-2-propan-2-yl-2H-imidazole
CID 69397364
1-dodecyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69393125
1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69387857
1-octyl-2-propan-2-yl-3-undecyl-2H-imidazole
CID 69392585
1-heptyl-2-propan-2-yl-3-undecyl-2H-imidazole
CID 69392910
1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69390605
1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole
CID 69394898
1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole
CID 69389284
2-hexyl-1-octadecyl-3-propyl-2H-imidazole
CID 69390514
2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole
CID 69391434

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole?
The IUPAC name of 2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole (CID 69395899) is 2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCN1C=CN(CCC)C1C(C)C.
What is the InChIKey of 2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole?
The InChIKey is QJDLWIUTFYULIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-5-7-8-9-10-11-12-13-14-15-16-18-24-20-19-23(17-6-2)22(24)21(3)4/h19-22H,5-18H2,1-4H3.
What are the key properties of 2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole?
2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole has a molecular weight of 336.61 g/mol, XLogP of 6.78, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69395899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).