2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole

C23H44N2 — CID 23051834

IUPAC2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCC/C=C/C1=NCCN1C(C)C
InChIInChI=1S/C23H44N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)3/h18-19,22H,4-17,20-21H2,1-3H3/b19-18+
InChIKeyHISCITPEEMNKJJ-VHEBQXMUSA-N
MW348.62 g/mol
LogP7.15
Rot. Bonds16

About 2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole

2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole (PubChem CID 23051834) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole
PubChem CID23051834
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCC/C=C/C1=NCCN1C(C)C
InChIInChI=1S/C23H44N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)3/h18-19,22H,4-17,20-21H2,1-3H3/b19-18+
InChIKeyHISCITPEEMNKJJ-VHEBQXMUSA-N
XLogP7.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.15
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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Related Compounds

1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 163477068
1-[2-[(E)-pentadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323297
1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 71246104
2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine
CID 70356850
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
2-(2-undec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 170849372
2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327588
2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323609
2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 141100593
1-aminoethyl 2-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)acetate
CID 141398729
1-[2-[(E)-hexadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328122
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole?
The IUPAC name of 2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole (CID 23051834) is 2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole is CCCCCCCCCCCCCCC/C=C/C1=NCCN1C(C)C.
What is the InChIKey of 2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole?
The InChIKey is HISCITPEEMNKJJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C23H44N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)3/h18-19,22H,4-17,20-21H2,1-3H3/b19-18+.
What are the key properties of 2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole?
2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole has a molecular weight of 348.62 g/mol, XLogP of 7.15, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole is sourced from PubChem (CID 23051834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).