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

C22H42N2 — CID 70523785

IUPAC1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCC(C)CN1C=NCC1
InChIInChI=1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)20-24-19-18-23-21-24/h10-11,21-22H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyFTTITGJXWTYXPY-KHPPLWFESA-N
MW334.59 g/mol
LogP6.61
Rot. Bonds16

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

1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole (PubChem CID 70523785) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole
PubChem CID70523785
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCC(C)CN1C=NCC1
InChIInChI=1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)20-24-19-18-23-21-24/h10-11,21-22H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyFTTITGJXWTYXPY-KHPPLWFESA-N
XLogP6.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.61
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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Related Compounds

1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
CID 66582392
1-[(E)-heptadec-8-enyl]-4,5-dihydroimidazole
CID 20304101
2-(2-Octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine
CID 54547397
1-(Cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole
CID 57212728
1-[(Z)-icos-11-enyl]-4,5-dihydroimidazole
CID 57475202
2-[2-[methyl-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]amino]ethyl]guanidine
CID 58069504
1-Octadec-9-enyl-4,5-dihydroimidazole
CID 66582394
1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride
CID 66957866
1-Octadec-9-enyl-4,5-dihydroimidazole;hydrochloride
CID 66957868
1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole
CID 67252426
1,1-bis[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-ium
CID 68006680
1-[(E)-henicos-6-en-5-yl]-4,5-dihydroimidazole
CID 68113523

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole (CID 70523785) is 1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole is CCCCCCCC/C=C\CCCCCCC(C)CN1C=NCC1.
What is the InChIKey of 1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole?
The InChIKey is FTTITGJXWTYXPY-KHPPLWFESA-N. The full InChI is InChI=1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)20-24-19-18-23-21-24/h10-11,21-22H,3-9,12-20H2,1-2H3/b11-10-.
What are the key properties of 1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole?
1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole has a molecular weight of 334.59 g/mol, XLogP of 6.61, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole is sourced from PubChem (CID 70523785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).