1,3-dioctyl-2H-imidazole

C19H38N2 — CID 21260033

IUPAC1,3-dioctyl-2H-imidazole
SMILESCCCCCCCCN1C=CN(CCCCCCCC)C1
InChIInChI=1S/C19H38N2/c1-3-5-7-9-11-13-15-20-17-18-21(19-20)16-14-12-10-8-6-4-2/h17-18H,3-16,19H2,1-2H3
InChIKeyRRIAFTXMILCCGC-UHFFFAOYSA-N
MW294.53 g/mol
LogP5.75
Rot. Bonds14

About 1,3-dioctyl-2H-imidazole

1,3-dioctyl-2H-imidazole (PubChem CID 21260033) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1,3-dioctyl-2H-imidazole.

Molecular Properties

Compound Name1,3-dioctyl-2H-imidazole
PubChem CID21260033
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1,3-dioctyl-2H-imidazole
SMILESCCCCCCCCN1C=CN(CCCCCCCC)C1
InChIInChI=1S/C19H38N2/c1-3-5-7-9-11-13-15-20-17-18-21(19-20)16-14-12-10-8-6-4-2/h17-18H,3-16,19H2,1-2H3
InChIKeyRRIAFTXMILCCGC-UHFFFAOYSA-N
XLogP5.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.75
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dioctyl-2H-imidazole?
The IUPAC name of 1,3-dioctyl-2H-imidazole (CID 21260033) is 1,3-dioctyl-2H-imidazole.
What is the SMILES notation for 1,3-dioctyl-2H-imidazole?
The canonical SMILES for 1,3-dioctyl-2H-imidazole is CCCCCCCCN1C=CN(CCCCCCCC)C1.
What is the InChIKey of 1,3-dioctyl-2H-imidazole?
The InChIKey is RRIAFTXMILCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-3-5-7-9-11-13-15-20-17-18-21(19-20)16-14-12-10-8-6-4-2/h17-18H,3-16,19H2,1-2H3.
What are the key properties of 1,3-dioctyl-2H-imidazole?
1,3-dioctyl-2H-imidazole has a molecular weight of 294.53 g/mol, XLogP of 5.75, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioctyl-2H-imidazole is sourced from PubChem (CID 21260033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).