2-heptadecyl-4,5-dihydro-1H-imidazole

C20H40N2 — CID 7744

IUPAC2-heptadecyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1
InChIInChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)
InChIKeyNCVGSSQICKMAIA-UHFFFAOYSA-N
MW308.55 g/mol
LogP6.25
Rot. Bonds16

About 2-heptadecyl-4,5-dihydro-1H-imidazole

2-heptadecyl-4,5-dihydro-1H-imidazole (PubChem CID 7744) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 2-heptadecyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-heptadecyl-4,5-dihydro-1H-imidazole
PubChem CID7744
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name2-heptadecyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1
InChIInChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)
InChIKeyNCVGSSQICKMAIA-UHFFFAOYSA-N
XLogP6.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.25
H-Bond Donors ≤ 51
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 2-heptadecyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-heptadecyl-4,5-dihydro-1H-imidazole (CID 7744) is 2-heptadecyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-heptadecyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-heptadecyl-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCCCCCC1=NCCN1.
What is the InChIKey of 2-heptadecyl-4,5-dihydro-1H-imidazole?
The InChIKey is NCVGSSQICKMAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22).
What are the key properties of 2-heptadecyl-4,5-dihydro-1H-imidazole?
2-heptadecyl-4,5-dihydro-1H-imidazole has a molecular weight of 308.55 g/mol, XLogP of 6.25, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 7744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).