2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile

C24H45N3 — CID 174678338

IUPAC2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C#N)C1
InChIInChI=1S/C24H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-21-27(23-26)24(2)22-25/h20-21,24H,3-19,23H2,1-2H3
InChIKeyFVBDVQDKAFZLDX-UHFFFAOYSA-N
MW375.65 g/mol
LogP7.21
Rot. Bonds18

About 2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile

2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile (PubChem CID 174678338) has the molecular formula C24H45N3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile
PubChem CID174678338
Molecular FormulaC24H45N3
Molecular Weight375.65 g/mol
Exact Mass375.36
IUPAC Name2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C#N)C1
InChIInChI=1S/C24H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-21-27(23-26)24(2)22-25/h20-21,24H,3-19,23H2,1-2H3
InChIKeyFVBDVQDKAFZLDX-UHFFFAOYSA-N
XLogP7.21
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.65
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-nonadecyl-3-propan-2-yl-2H-imidazole
CID 69389756
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
1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole
CID 123172348
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129

Frequently Asked Questions

What is the IUPAC name of 2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile?
The IUPAC name of 2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile (CID 174678338) is 2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile.
What is the SMILES notation for 2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile?
The canonical SMILES for 2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile is CCCCCCCCCCCCCCCCCCN1C=CN(C(C)C#N)C1.
What is the InChIKey of 2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile?
The InChIKey is FVBDVQDKAFZLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-21-27(23-26)24(2)22-25/h20-21,24H,3-19,23H2,1-2H3.
What are the key properties of 2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile?
2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile has a molecular weight of 375.65 g/mol, XLogP of 7.21, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-octadecyl-2H-imidazol-1-yl)propanenitrile is sourced from PubChem (CID 174678338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).