1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole

C24H46N2 — CID 67252426

IUPAC1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCC(CCC)CN1C=NCC1
InChIInChI=1S/C24H46N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(18-4-2)22-26-21-20-25-23-26/h11-12,23-24H,3-10,13-22H2,1-2H3/b12-11-
InChIKeyKSZISZSIUVBRFW-QXMHVHEDSA-N
MW362.65 g/mol
LogP7.39
Rot. Bonds18

About 1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole

1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole (PubChem CID 67252426) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole
PubChem CID67252426
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCC(CCC)CN1C=NCC1
InChIInChI=1S/C24H46N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(18-4-2)22-26-21-20-25-23-26/h11-12,23-24H,3-10,13-22H2,1-2H3/b12-11-
InChIKeyKSZISZSIUVBRFW-QXMHVHEDSA-N
XLogP7.39
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 ≤ 57.39
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)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole (CID 67252426) is 1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole is CCCCCCCC/C=C\CCCCCCC(CCC)CN1C=NCC1.
What is the InChIKey of 1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole?
The InChIKey is KSZISZSIUVBRFW-QXMHVHEDSA-N. The full InChI is InChI=1S/C24H46N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(18-4-2)22-26-21-20-25-23-26/h11-12,23-24H,3-10,13-22H2,1-2H3/b12-11-.
What are the key properties of 1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole?
1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole has a molecular weight of 362.65 g/mol, XLogP of 7.39, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole is sourced from PubChem (CID 67252426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).