1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole

C20H38N2 — CID 19357445

IUPAC1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCC/C=C/N1C=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/b18-16+
InChIKeyPCUKKGOFOVXWKZ-FBMGVBCBSA-N
MW306.54 g/mol
LogP6.33
Rot. Bonds15

About 1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole

1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole (PubChem CID 19357445) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
PubChem CID19357445
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCC/C=C/N1C=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/b18-16+
InChIKeyPCUKKGOFOVXWKZ-FBMGVBCBSA-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-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole (CID 19357445) is 1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole is CCCCCCCCCCCCCCC/C=C/N1C=NCC1.
What is the InChIKey of 1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole?
The InChIKey is PCUKKGOFOVXWKZ-FBMGVBCBSA-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/b18-16+.
What are the key properties of 1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole?
1-[(E)-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-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole is sourced from PubChem (CID 19357445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).