1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole

C14H19FN2 — CID 155366765

IUPAC1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole
SMILESCC1C=CC(F)=C(Cn2cnc(C(C)C)c2)C1
InChIInChI=1S/C14H19FN2/c1-10(2)14-8-17(9-16-14)7-12-6-11(3)4-5-13(12)15/h4-5,8-11H,6-7H2,1-3H3
InChIKeyCWRLLIOLOCZKMJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.83
Rot. Bonds3

About 1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole

1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole (PubChem CID 155366765) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole.

Molecular Properties

Compound Name1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole
PubChem CID155366765
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole
SMILESCC1C=CC(F)=C(Cn2cnc(C(C)C)c2)C1
InChIInChI=1S/C14H19FN2/c1-10(2)14-8-17(9-16-14)7-12-6-11(3)4-5-13(12)15/h4-5,8-11H,6-7H2,1-3H3
InChIKeyCWRLLIOLOCZKMJ-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole?
The IUPAC name of 1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole (CID 155366765) is 1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole.
What is the SMILES notation for 1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole?
The canonical SMILES for 1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole is CC1C=CC(F)=C(Cn2cnc(C(C)C)c2)C1.
What is the InChIKey of 1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole?
The InChIKey is CWRLLIOLOCZKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-10(2)14-8-17(9-16-14)7-12-6-11(3)4-5-13(12)15/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole?
1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole has a molecular weight of 234.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-4-propan-2-ylimidazole is sourced from PubChem (CID 155366765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).