1,2-didodecyl-3-propan-2-yl-2H-imidazole

C30H60N2 — CID 69397621

IUPAC1,2-didodecyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCC1N(CCCCCCCCCCCC)C=CN1C(C)C
InChIInChI=1S/C30H60N2/c1-5-7-9-11-13-15-17-19-21-23-25-30-31(27-28-32(30)29(3)4)26-24-22-20-18-16-14-12-10-8-6-2/h27-30H,5-26H2,1-4H3
InChIKeyYLAQJJKNWZJLAK-UHFFFAOYSA-N
MW448.82 g/mol
LogP10.04
Rot. Bonds23

About 1,2-didodecyl-3-propan-2-yl-2H-imidazole

1,2-didodecyl-3-propan-2-yl-2H-imidazole (PubChem CID 69397621) has the molecular formula C30H60N2 and a molecular weight of 448.82 g/mol. Its IUPAC name is 1,2-didodecyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1,2-didodecyl-3-propan-2-yl-2H-imidazole
PubChem CID69397621
Molecular FormulaC30H60N2
Molecular Weight448.82 g/mol
Exact Mass448.48
IUPAC Name1,2-didodecyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCC1N(CCCCCCCCCCCC)C=CN1C(C)C
InChIInChI=1S/C30H60N2/c1-5-7-9-11-13-15-17-19-21-23-25-30-31(27-28-32(30)29(3)4)26-24-22-20-18-16-14-12-10-8-6-2/h27-30H,5-26H2,1-4H3
InChIKeyYLAQJJKNWZJLAK-UHFFFAOYSA-N
XLogP10.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.82
LogP ≤ 510.04
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-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole
CID 69394365
1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole
CID 69406629
1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole
CID 69389221
1-heptadecyl-3-propan-2-yl-2-propyl-2H-imidazole
CID 69393492
1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
CID 69395424

Frequently Asked Questions

What is the IUPAC name of 1,2-didodecyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 1,2-didodecyl-3-propan-2-yl-2H-imidazole (CID 69397621) is 1,2-didodecyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1,2-didodecyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 1,2-didodecyl-3-propan-2-yl-2H-imidazole is CCCCCCCCCCCCC1N(CCCCCCCCCCCC)C=CN1C(C)C.
What is the InChIKey of 1,2-didodecyl-3-propan-2-yl-2H-imidazole?
The InChIKey is YLAQJJKNWZJLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2/c1-5-7-9-11-13-15-17-19-21-23-25-30-31(27-28-32(30)29(3)4)26-24-22-20-18-16-14-12-10-8-6-2/h27-30H,5-26H2,1-4H3.
What are the key properties of 1,2-didodecyl-3-propan-2-yl-2H-imidazole?
1,2-didodecyl-3-propan-2-yl-2H-imidazole has a molecular weight of 448.82 g/mol, XLogP of 10.04, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-didodecyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69397621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).