1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole

C23H44N2 — CID 57475202

IUPAC1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCCCCCN1C=NCC1
InChIInChI=1S/C23H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-24-23-25/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKeyDVAILKUQSKMELK-KTKRTIGZSA-N
MW348.62 g/mol
LogP7.15
Rot. Bonds18

About 1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole

1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole (PubChem CID 57475202) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole
PubChem CID57475202
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCCCCCN1C=NCC1
InChIInChI=1S/C23H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-24-23-25/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKeyDVAILKUQSKMELK-KTKRTIGZSA-N
XLogP7.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole (CID 57475202) is 1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole is CCCCCCCC/C=C\CCCCCCCCCCN1C=NCC1.
What is the InChIKey of 1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole?
The InChIKey is DVAILKUQSKMELK-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-24-23-25/h9-10,23H,2-8,11-22H2,1H3/b10-9-.
What are the key properties of 1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole?
1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole has a molecular weight of 348.62 g/mol, XLogP of 7.15, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole is sourced from PubChem (CID 57475202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).