1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole

C39H78N2 — CID 69388828

IUPAC1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCCC)C1CCC
InChIInChI=1S/C39H78N2/c1-4-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-36-41-38-37-40(39(41)34-6-3)35-32-30-28-26-24-18-16-14-12-10-8-5-2/h37-39H,4-36H2,1-3H3
InChIKeyUOLPFANVKWEHRN-UHFFFAOYSA-N
MW575.07 g/mol
LogP13.55
Rot. Bonds33

About 1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole

1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole (PubChem CID 69388828) has the molecular formula C39H78N2 and a molecular weight of 575.07 g/mol. Its IUPAC name is 1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole.

Molecular Properties

Compound Name1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole
PubChem CID69388828
Molecular FormulaC39H78N2
Molecular Weight575.07 g/mol
Exact Mass574.62
IUPAC Name1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCCC)C1CCC
InChIInChI=1S/C39H78N2/c1-4-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-36-41-38-37-40(39(41)34-6-3)35-32-30-28-26-24-18-16-14-12-10-8-5-2/h37-39H,4-36H2,1-3H3
InChIKeyUOLPFANVKWEHRN-UHFFFAOYSA-N
XLogP13.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.07
LogP ≤ 513.55
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-propyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69387822
1-pentadecyl-2-propyl-3-undecyl-2H-imidazole
CID 69395009
1-decyl-3-dodecyl-2-propyl-2H-imidazole
CID 69387094
1-octadecyl-2,3-dipropyl-2H-imidazole
CID 69386966
1,2-dipropyl-3-tridecyl-2H-imidazole
CID 69391339
1-heptadecyl-2-hexyl-3-nonyl-2H-imidazole
CID 69387199
1-hexyl-3-octadecyl-2-octyl-2H-imidazole
CID 69393132
1-heptyl-2-hexadecyl-3-octyl-2H-imidazole
CID 69392232
2-heptyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69388972
1,2-dihexyl-3-nonadecyl-2H-imidazole
CID 69392043
1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole
CID 69396389
1-hexyl-2-octadecyl-3-tetradecyl-2H-imidazole
CID 69393612

Frequently Asked Questions

What is the IUPAC name of 1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole?
The IUPAC name of 1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole (CID 69388828) is 1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole.
What is the SMILES notation for 1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole?
The canonical SMILES for 1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCCC)C1CCC.
What is the InChIKey of 1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole?
The InChIKey is UOLPFANVKWEHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H78N2/c1-4-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-36-41-38-37-40(39(41)34-6-3)35-32-30-28-26-24-18-16-14-12-10-8-5-2/h37-39H,4-36H2,1-3H3.
What are the key properties of 1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole?
1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole has a molecular weight of 575.07 g/mol, XLogP of 13.55, 33 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole is sourced from PubChem (CID 69388828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).