2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole

C22H42N2 — CID 70590210

IUPAC2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCC=CC(C)C1=NCCN1
InChIInChI=1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)22-23-19-20-24-22/h17-18,21H,3-16,19-20H2,1-2H3,(H,23,24)
InChIKeyBXOGLBBBOQEOEQ-UHFFFAOYSA-N
MW334.59 g/mol
LogP6.66
Rot. Bonds16

About 2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole

2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole (PubChem CID 70590210) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole
PubChem CID70590210
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCC=CC(C)C1=NCCN1
InChIInChI=1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)22-23-19-20-24-22/h17-18,21H,3-16,19-20H2,1-2H3,(H,23,24)
InChIKeyBXOGLBBBOQEOEQ-UHFFFAOYSA-N
XLogP6.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.66
H-Bond Donors ≤ 51
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 2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole (CID 70590210) is 2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCCCC=CC(C)C1=NCCN1.
What is the InChIKey of 2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole?
The InChIKey is BXOGLBBBOQEOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)22-23-19-20-24-22/h17-18,21H,3-16,19-20H2,1-2H3,(H,23,24).
What are the key properties of 2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole?
2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole has a molecular weight of 334.59 g/mol, XLogP of 6.66, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonadec-3-en-2-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 70590210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).