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

C27H54N2 — CID 69394898

IUPAC1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CC)C1C(C)C
InChIInChI=1S/C27H54N2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-25-24-28(6-2)27(29)26(3)4/h24-27H,5-23H2,1-4H3
InChIKeyLGKCIAXSKNMXHD-UHFFFAOYSA-N
MW406.74 g/mol
LogP8.73
Rot. Bonds20

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

1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole (PubChem CID 69394898) has the molecular formula C27H54N2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole
PubChem CID69394898
Molecular FormulaC27H54N2
Molecular Weight406.74 g/mol
Exact Mass406.43
IUPAC Name1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CC)C1C(C)C
InChIInChI=1S/C27H54N2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-25-24-28(6-2)27(29)26(3)4/h24-27H,5-23H2,1-4H3
InChIKeyLGKCIAXSKNMXHD-UHFFFAOYSA-N
XLogP8.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole
CID 69395899
1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole
CID 69390848
1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole
CID 69389284
1-decyl-3-ethyl-2-methyl-2H-imidazole
CID 69393103
1-ethyl-3-heptadecyl-2-methyl-2H-imidazole
CID 69396423

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole?
The IUPAC name of 1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole (CID 69394898) is 1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(CC)C1C(C)C.
What is the InChIKey of 1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole?
The InChIKey is LGKCIAXSKNMXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-25-24-28(6-2)27(29)26(3)4/h24-27H,5-23H2,1-4H3.
What are the key properties of 1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole?
1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole has a molecular weight of 406.74 g/mol, XLogP of 8.73, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69394898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).