2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole

C23H42N2 — CID 175074966

IUPAC2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole
SMILESCCCCCCCC/C=C\CCCCCCCCc1cnc(CC)[nH]1
InChIInChI=1S/C23H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21-24-23(4-2)25-22/h11-12,21H,3-10,13-20H2,1-2H3,(H,24,25)/b12-11-
InChIKeyQJGWSMSFPQZGMT-QXMHVHEDSA-N
MW346.60 g/mol
LogP7.55
Rot. Bonds17

About 2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole

2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole (PubChem CID 175074966) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole
PubChem CID175074966
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Name2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole
SMILESCCCCCCCC/C=C\CCCCCCCCc1cnc(CC)[nH]1
InChIInChI=1S/C23H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21-24-23(4-2)25-22/h11-12,21H,3-10,13-20H2,1-2H3,(H,24,25)/b12-11-
InChIKeyQJGWSMSFPQZGMT-QXMHVHEDSA-N
XLogP7.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine
CID 158947561
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
acetic acid;2,5-dihexyl-1H-imidazole
CID 175376233
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390
2-(2-heptadecyl-1H-imidazol-5-yl)ethanol
CID 10617878
5-butyl-2-ethyl-1H-imidazole;nitric acid
CID 174876419
2-butyl-5-tetradecyl-1H-imidazole;nitric acid
CID 158622630
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
5-heptadecyl-1H-imidazol-2-amine
CID 25178085
2-butyl-5-propyl-1H-imidazole
CID 68810469
(E)-hexadec-6-ene
CID 5352260
nonacos-7-ene
CID 71381021

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole?
The IUPAC name of 2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole (CID 175074966) is 2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole?
The canonical SMILES for 2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole is CCCCCCCC/C=C\CCCCCCCCc1cnc(CC)[nH]1.
What is the InChIKey of 2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole?
The InChIKey is QJGWSMSFPQZGMT-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21-24-23(4-2)25-22/h11-12,21H,3-10,13-20H2,1-2H3,(H,24,25)/b12-11-.
What are the key properties of 2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole?
2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole has a molecular weight of 346.60 g/mol, XLogP of 7.55, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole is sourced from PubChem (CID 175074966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).