2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole

C25H38N2 — CID 5372332

IUPAC2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC1=NCCN1C
InChIInChI=1S/C25H38N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-26-23-24-27(25)2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyVBHANKCMFRXNHW-JDPCYWKWSA-N
MW366.59 g/mol
LogP6.81
Rot. Bonds14

About 2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole

2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole (PubChem CID 5372332) has the molecular formula C25H38N2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole
PubChem CID5372332
Molecular FormulaC25H38N2
Molecular Weight366.59 g/mol
Exact Mass366.30
IUPAC Name2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC1=NCCN1C
InChIInChI=1S/C25H38N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-26-23-24-27(25)2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyVBHANKCMFRXNHW-JDPCYWKWSA-N
XLogP6.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole (CID 5372332) is 2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC1=NCCN1C.
What is the InChIKey of 2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole?
The InChIKey is VBHANKCMFRXNHW-JDPCYWKWSA-N. The full InChI is InChI=1S/C25H38N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-26-23-24-27(25)2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-.
What are the key properties of 2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole?
2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole has a molecular weight of 366.59 g/mol, XLogP of 6.81, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 5372332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).