1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole

C10H19FN2 — CID 11458123

IUPAC1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole
SMILESCC1=NCCN1CCCCCCF
InChIInChI=1S/C10H19FN2/c1-10-12-7-9-13(10)8-5-3-2-4-6-11/h2-9H2,1H3
InChIKeyUZMNDZNUCIMTRL-UHFFFAOYSA-N
MW186.27 g/mol
LogP2.25
Rot. Bonds6

About 1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole

1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole (PubChem CID 11458123) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole
PubChem CID11458123
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole
SMILESCC1=NCCN1CCCCCCF
InChIInChI=1S/C10H19FN2/c1-10-12-7-9-13(10)8-5-3-2-4-6-11/h2-9H2,1H3
InChIKeyUZMNDZNUCIMTRL-UHFFFAOYSA-N
XLogP2.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.25
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-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole (CID 11458123) is 1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole is CC1=NCCN1CCCCCCF.
What is the InChIKey of 1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole?
The InChIKey is UZMNDZNUCIMTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-10-12-7-9-13(10)8-5-3-2-4-6-11/h2-9H2,1H3.
What are the key properties of 1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole?
1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole has a molecular weight of 186.27 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 11458123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).