1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole

C23H38N2 — CID 5369160

IUPAC1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC1=NCCN1C
InChIInChI=1S/C23H38N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22-25(23)2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyXUDNJYIUFWMJEL-ZKWNWVNESA-N
MW342.57 g/mol
LogP6.48
Rot. Bonds14

About 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole

1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole (PubChem CID 5369160) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole
PubChem CID5369160
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC1=NCCN1C
InChIInChI=1S/C23H38N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22-25(23)2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyXUDNJYIUFWMJEL-ZKWNWVNESA-N
XLogP6.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 56.48
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'}

Analyze 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole with MolForge

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Related Compounds

1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-
CID 6437219
(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine
CID 6436525
2-(2-Heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 88595
N-(2-Aminoethyl)-N'-(2-(2-(8Z)-8-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)1,2-ethanediamine
CID 22833348
N-(2-Aminoethyl)-N'-(2-(2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)ethylenediamine
CID 6437097
1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
CID 66582392
1,1'-(1,2-Ethanediyl)bis[2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazole]
CID 107406
(Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
CID 6436526
2-(Octadec-9-EN-1-YL)-4,5-dihydro-1H-imidazole
CID 62631
1H-Imidazole, 4,5-dihydro-2-(9Z)-9-octadecenyl-
CID 6435905
Oleyl imidazoline
CID 6436530
2-[(E)-heptadec-8-enyl]-5,5-dimethyl-3-propan-2-yl-4H-imidazole
CID 5354706

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole?
The IUPAC name of 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole (CID 5369160) is 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC1=NCCN1C.
What is the InChIKey of 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole?
The InChIKey is XUDNJYIUFWMJEL-ZKWNWVNESA-N. The full InChI is InChI=1S/C23H38N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22-25(23)2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole?
1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole has a molecular weight of 342.57 g/mol, XLogP of 6.48, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]-4,5-dihydroimidazole is sourced from PubChem (CID 5369160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).