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

C25H50N2 — CID 69389756

IUPAC1-nonadecyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1
InChIInChI=1S/C25H50N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-22-23-27(24-26)25(2)3/h22-23,25H,4-21,24H2,1-3H3
InChIKeyLMTJTPOTZUFIFR-UHFFFAOYSA-N
MW378.69 g/mol
LogP8.09
Rot. Bonds19

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

1-nonadecyl-3-propan-2-yl-2H-imidazole (PubChem CID 69389756) has the molecular formula C25H50N2 and a molecular weight of 378.69 g/mol. Its IUPAC name is 1-nonadecyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-nonadecyl-3-propan-2-yl-2H-imidazole
PubChem CID69389756
Molecular FormulaC25H50N2
Molecular Weight378.69 g/mol
Exact Mass378.40
IUPAC Name1-nonadecyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1
InChIInChI=1S/C25H50N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-22-23-27(24-26)25(2)3/h22-23,25H,4-21,24H2,1-3H3
InChIKeyLMTJTPOTZUFIFR-UHFFFAOYSA-N
XLogP8.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 58.09
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-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile
CID 174678338
1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole
CID 123172348
1-(6-bromohexyl)-3-tetradecyl-2H-imidazole
CID 141476954

Frequently Asked Questions

What is the IUPAC name of 1-nonadecyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 1-nonadecyl-3-propan-2-yl-2H-imidazole (CID 69389756) is 1-nonadecyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-nonadecyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-nonadecyl-3-propan-2-yl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1.
What is the InChIKey of 1-nonadecyl-3-propan-2-yl-2H-imidazole?
The InChIKey is LMTJTPOTZUFIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-22-23-27(24-26)25(2)3/h22-23,25H,4-21,24H2,1-3H3.
What are the key properties of 1-nonadecyl-3-propan-2-yl-2H-imidazole?
1-nonadecyl-3-propan-2-yl-2H-imidazole has a molecular weight of 378.69 g/mol, XLogP of 8.09, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonadecyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69389756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).