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

C20H40N2 — CID 69395424

IUPAC1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(C(C)C)C1CC
InChIInChI=1S/C20H40N2/c1-5-7-8-9-10-11-12-13-14-15-16-21-17-18-22(19(3)4)20(21)6-2/h17-20H,5-16H2,1-4H3
InChIKeyCQHWKGUXRJSNRN-UHFFFAOYSA-N
MW308.55 g/mol
LogP6.14
Rot. Bonds13

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

1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole (PubChem CID 69395424) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
PubChem CID69395424
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(C(C)C)C1CC
InChIInChI=1S/C20H40N2/c1-5-7-8-9-10-11-12-13-14-15-16-21-17-18-22(19(3)4)20(21)6-2/h17-20H,5-16H2,1-4H3
InChIKeyCQHWKGUXRJSNRN-UHFFFAOYSA-N
XLogP6.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.14
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-nonadecyl-2-pentyl-3-propan-2-yl-2H-imidazole
CID 69393203
1-pentyl-3-propan-2-yl-2-undecyl-2H-imidazole
CID 69392378
2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole
CID 69397619
2-octadecyl-1-pentadecyl-3-propan-2-yl-2H-imidazole
CID 69407692
2-heptyl-1-octyl-3-propan-2-yl-2H-imidazole
CID 69409093
1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole
CID 69393183
2-nonyl-1-propan-2-yl-3-tridecyl-2H-imidazole
CID 69391093
1,2-didodecyl-3-propan-2-yl-2H-imidazole
CID 69397621
1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole
CID 69394365
1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole
CID 69406629
1-heptadecyl-3-propan-2-yl-2-propyl-2H-imidazole
CID 69393492
1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole
CID 69389221

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole (CID 69395424) is 1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole is CCCCCCCCCCCCN1C=CN(C(C)C)C1CC.
What is the InChIKey of 1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole?
The InChIKey is CQHWKGUXRJSNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-5-7-8-9-10-11-12-13-14-15-16-21-17-18-22(19(3)4)20(21)6-2/h17-20H,5-16H2,1-4H3.
What are the key properties of 1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole?
1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole has a molecular weight of 308.55 g/mol, XLogP of 6.14, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69395424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).