2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole

C22H40N2 — CID 67736458

IUPAC2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole
SMILESCCCCCCCC/C=C\CCCCCCC(C)Cc1ncc[nH]1
InChIInChI=1S/C22H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2)20-22-23-18-19-24-22/h10-11,18-19,21H,3-9,12-17,20H2,1-2H3,(H,23,24)/b11-10-
InChIKeyZDUXNXJZROHYFQ-KHPPLWFESA-N
MW332.58 g/mol
LogP7.24
Rot. Bonds16

About 2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole

2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole (PubChem CID 67736458) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole
PubChem CID67736458
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole
SMILESCCCCCCCC/C=C\CCCCCCC(C)Cc1ncc[nH]1
InChIInChI=1S/C22H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2)20-22-23-18-19-24-22/h10-11,18-19,21H,3-9,12-17,20H2,1-2H3,(H,23,24)/b11-10-
InChIKeyZDUXNXJZROHYFQ-KHPPLWFESA-N
XLogP7.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine
CID 114752420
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
(E)-20-methyloctacos-4-ene
CID 173194294
2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid
CID 160978444
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole?
The IUPAC name of 2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole (CID 67736458) is 2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole.
What is the SMILES notation for 2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole?
The canonical SMILES for 2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole is CCCCCCCC/C=C\CCCCCCC(C)Cc1ncc[nH]1.
What is the InChIKey of 2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole?
The InChIKey is ZDUXNXJZROHYFQ-KHPPLWFESA-N. The full InChI is InChI=1S/C22H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2)20-22-23-18-19-24-22/h10-11,18-19,21H,3-9,12-17,20H2,1-2H3,(H,23,24)/b11-10-.
What are the key properties of 2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole?
2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole has a molecular weight of 332.58 g/mol, XLogP of 7.24, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole is sourced from PubChem (CID 67736458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).