1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole

C16H23FN2 — CID 88515296

IUPAC1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole
SMILESCCCCCCc1cncn1C1(F)C=CC=CC1C
InChIInChI=1S/C16H23FN2/c1-3-4-5-6-10-15-12-18-13-19(15)16(17)11-8-7-9-14(16)2/h7-9,11-14H,3-6,10H2,1-2H3
InChIKeyKDEITSOCADIOMG-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.39
Rot. Bonds6

About 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole

1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole (PubChem CID 88515296) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole.

Molecular Properties

Compound Name1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole
PubChem CID88515296
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole
SMILESCCCCCCc1cncn1C1(F)C=CC=CC1C
InChIInChI=1S/C16H23FN2/c1-3-4-5-6-10-15-12-18-13-19(15)16(17)11-8-7-9-14(16)2/h7-9,11-14H,3-6,10H2,1-2H3
InChIKeyKDEITSOCADIOMG-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole?
The IUPAC name of 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole (CID 88515296) is 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole.
What is the SMILES notation for 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole?
The canonical SMILES for 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole is CCCCCCc1cncn1C1(F)C=CC=CC1C.
What is the InChIKey of 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole?
The InChIKey is KDEITSOCADIOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-3-4-5-6-10-15-12-18-13-19(15)16(17)11-8-7-9-14(16)2/h7-9,11-14H,3-6,10H2,1-2H3.
What are the key properties of 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole?
1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole has a molecular weight of 262.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-hexylimidazole is sourced from PubChem (CID 88515296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).