2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole

C17H17FN2 — CID 90224746

IUPAC2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole
SMILESCc1cccc(C)c1-c1cc(F)ccc1C1=NCCN1
InChIInChI=1S/C17H17FN2/c1-11-4-3-5-12(2)16(11)15-10-13(18)6-7-14(15)17-19-8-9-20-17/h3-7,10H,8-9H2,1-2H3,(H,19,20)
InChIKeyUJHRMIADYPDUHE-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.46
Rot. Bonds2

About 2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole

2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole (PubChem CID 90224746) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole
PubChem CID90224746
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole
SMILESCc1cccc(C)c1-c1cc(F)ccc1C1=NCCN1
InChIInChI=1S/C17H17FN2/c1-11-4-3-5-12(2)16(11)15-10-13(18)6-7-14(15)17-19-8-9-20-17/h3-7,10H,8-9H2,1-2H3,(H,19,20)
InChIKeyUJHRMIADYPDUHE-UHFFFAOYSA-N
XLogP3.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole (CID 90224746) is 2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole is Cc1cccc(C)c1-c1cc(F)ccc1C1=NCCN1.
What is the InChIKey of 2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is UJHRMIADYPDUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-11-4-3-5-12(2)16(11)15-10-13(18)6-7-14(15)17-19-8-9-20-17/h3-7,10H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole?
2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 268.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylphenyl)-4-fluorophenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 90224746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).