1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole

C15H17FN2O2 — CID 155911147

IUPAC1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole
SMILESCc1cccc(-c2nccn2CC2COCCO2)c1F
InChIInChI=1S/C15H17FN2O2/c1-11-3-2-4-13(14(11)16)15-17-5-6-18(15)9-12-10-19-7-8-20-12/h2-6,12H,7-10H2,1H3
InChIKeySUXODJAASFTKSS-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.41
Rot. Bonds3

About 1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole

1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole (PubChem CID 155911147) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole
PubChem CID155911147
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole
SMILESCc1cccc(-c2nccn2CC2COCCO2)c1F
InChIInChI=1S/C15H17FN2O2/c1-11-3-2-4-13(14(11)16)15-17-5-6-18(15)9-12-10-19-7-8-20-12/h2-6,12H,7-10H2,1H3
InChIKeySUXODJAASFTKSS-UHFFFAOYSA-N
XLogP2.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole (CID 155911147) is 1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole is Cc1cccc(-c2nccn2CC2COCCO2)c1F.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole?
The InChIKey is SUXODJAASFTKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-11-3-2-4-13(14(11)16)15-17-5-6-18(15)9-12-10-19-7-8-20-12/h2-6,12H,7-10H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole?
1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole has a molecular weight of 276.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole is sourced from PubChem (CID 155911147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).