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

C24H46N2 — CID 19010192

IUPAC1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCC/C=C/C1=NCCN1CCCC
InChIInChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25-21-23-26(24)22-6-4-2/h19-20H,3-18,21-23H2,1-2H3/b20-19+
InChIKeyZMKFPKALJUJADO-FMQUCBEESA-N
MW362.65 g/mol
LogP7.54
Rot. Bonds18

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

1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole (PubChem CID 19010192) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
PubChem CID19010192
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCC/C=C/C1=NCCN1CCCC
InChIInChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25-21-23-26(24)22-6-4-2/h19-20H,3-18,21-23H2,1-2H3/b20-19+
InChIKeyZMKFPKALJUJADO-FMQUCBEESA-N
XLogP7.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 57.54
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

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-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 141100593
2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323609
2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine
CID 70356850
2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole
CID 23051834
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-aminoethyl 2-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)acetate
CID 141398729
1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 71246104
N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine
CID 136598227
2-[2-[(E)-heptadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323520

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole?
The IUPAC name of 1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole (CID 19010192) is 1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole is CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCCC.
What is the InChIKey of 1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole?
The InChIKey is ZMKFPKALJUJADO-FMQUCBEESA-N. The full InChI is InChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25-21-23-26(24)22-6-4-2/h19-20H,3-18,21-23H2,1-2H3/b20-19+.
What are the key properties of 1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole?
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole has a molecular weight of 362.65 g/mol, XLogP of 7.54, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole is sourced from PubChem (CID 19010192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).