1-heptadec-1-enyl-4,5-dihydroimidazole

C20H38N2 — CID 57215798

IUPAC1-heptadec-1-enyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCC=CN1C=NCC1
InChIInChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-21-20-22/h16,18,20H,2-15,17,19H2,1H3
InChIKeyPCUKKGOFOVXWKZ-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.33
Rot. Bonds15

About 1-heptadec-1-enyl-4,5-dihydroimidazole

1-heptadec-1-enyl-4,5-dihydroimidazole (PubChem CID 57215798) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 1-heptadec-1-enyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-heptadec-1-enyl-4,5-dihydroimidazole
PubChem CID57215798
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name1-heptadec-1-enyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCC=CN1C=NCC1
InChIInChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-21-20-22/h16,18,20H,2-15,17,19H2,1H3
InChIKeyPCUKKGOFOVXWKZ-UHFFFAOYSA-N
XLogP6.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.33
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-heptadec-1-enyl-4,5-dihydroimidazole?
The IUPAC name of 1-heptadec-1-enyl-4,5-dihydroimidazole (CID 57215798) is 1-heptadec-1-enyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-heptadec-1-enyl-4,5-dihydroimidazole?
The canonical SMILES for 1-heptadec-1-enyl-4,5-dihydroimidazole is CCCCCCCCCCCCCCCC=CN1C=NCC1.
What is the InChIKey of 1-heptadec-1-enyl-4,5-dihydroimidazole?
The InChIKey is PCUKKGOFOVXWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-21-20-22/h16,18,20H,2-15,17,19H2,1H3.
What are the key properties of 1-heptadec-1-enyl-4,5-dihydroimidazole?
1-heptadec-1-enyl-4,5-dihydroimidazole has a molecular weight of 306.54 g/mol, XLogP of 6.33, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadec-1-enyl-4,5-dihydroimidazole is sourced from PubChem (CID 57215798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).