1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole

C16H12F2N2 — CID 141132122

IUPAC1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole
SMILESFc1ccc(F)c(Cn2cnc(-c3ccccc3)c2)c1
InChIInChI=1S/C16H12F2N2/c17-14-6-7-15(18)13(8-14)9-20-10-16(19-11-20)12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyAQRAEXAPSWYLQE-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.88
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole

1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole (PubChem CID 141132122) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole
PubChem CID141132122
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole
SMILESFc1ccc(F)c(Cn2cnc(-c3ccccc3)c2)c1
InChIInChI=1S/C16H12F2N2/c17-14-6-7-15(18)13(8-14)9-20-10-16(19-11-20)12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyAQRAEXAPSWYLQE-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-phenylimidazole
CID 18755603
2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine
CID 166402136
2-(1-benzylimidazol-4-yl)-5-fluoropyridine
CID 139553844
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole
CID 18755590
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
CID 130254978
[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol
CID 106717550
4-(2,4-difluorophenyl)-1-ethylimidazole
CID 141121326
1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane
CID 145149010
4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile
CID 167429145
4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 106720825
1-(oxiran-2-ylmethyl)-4-phenylimidazole
CID 142123624
4-ethyl-1-[(2-fluorophenyl)methyl]imidazole
CID 155366804

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole (CID 141132122) is 1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole is Fc1ccc(F)c(Cn2cnc(-c3ccccc3)c2)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole?
The InChIKey is AQRAEXAPSWYLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c17-14-6-7-15(18)13(8-14)9-20-10-16(19-11-20)12-4-2-1-3-5-12/h1-8,10-11H,9H2.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole?
1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole has a molecular weight of 270.28 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole is sourced from PubChem (CID 141132122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).