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

C21H42N2 — CID 69390848

IUPAC1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(CCC)C1C(C)C
InChIInChI=1S/C21H42N2/c1-5-7-8-9-10-11-12-13-14-15-17-23-19-18-22(16-6-2)21(23)20(3)4/h18-21H,5-17H2,1-4H3
InChIKeySFSOEGUMUQADQR-UHFFFAOYSA-N
MW322.58 g/mol
LogP6.39
Rot. Bonds14

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

1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole (PubChem CID 69390848) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole
PubChem CID69390848
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(CCC)C1C(C)C
InChIInChI=1S/C21H42N2/c1-5-7-8-9-10-11-12-13-14-15-17-23-19-18-22(16-6-2)21(23)20(3)4/h18-21H,5-17H2,1-4H3
InChIKeySFSOEGUMUQADQR-UHFFFAOYSA-N
XLogP6.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 56.39
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

2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole
CID 69395899
1-heptyl-2-propan-2-yl-3-undecyl-2H-imidazole
CID 69392910
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-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 1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole?
The IUPAC name of 1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole (CID 69390848) is 1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole.
What is the SMILES notation for 1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole?
The canonical SMILES for 1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole is CCCCCCCCCCCCN1C=CN(CCC)C1C(C)C.
What is the InChIKey of 1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole?
The InChIKey is SFSOEGUMUQADQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-5-7-8-9-10-11-12-13-14-15-17-23-19-18-22(16-6-2)21(23)20(3)4/h18-21H,5-17H2,1-4H3.
What are the key properties of 1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole?
1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole has a molecular weight of 322.58 g/mol, XLogP of 6.39, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole is sourced from PubChem (CID 69390848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).