1-[bis(4-fluorophenyl)methyl]imidazole

C16H12F2N2 — CID 10355760

IUPAC1-[bis(4-fluorophenyl)methyl]imidazole
SMILESFc1ccc(C(c2ccc(F)cc2)n2ccnc2)cc1
InChIInChI=1S/C16H12F2N2/c17-14-5-1-12(2-6-14)16(20-10-9-19-11-20)13-3-7-15(18)8-4-13/h1-11,16H
InChIKeyCBOUDDGIOBMHGX-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.80
Rot. Bonds3

About 1-[bis(4-fluorophenyl)methyl]imidazole

1-[bis(4-fluorophenyl)methyl]imidazole (PubChem CID 10355760) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]imidazole
PubChem CID10355760
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name1-[bis(4-fluorophenyl)methyl]imidazole
SMILESFc1ccc(C(c2ccc(F)cc2)n2ccnc2)cc1
InChIInChI=1S/C16H12F2N2/c17-14-5-1-12(2-6-14)16(20-10-9-19-11-20)13-3-7-15(18)8-4-13/h1-11,16H
InChIKeyCBOUDDGIOBMHGX-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]imidazole?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]imidazole (CID 10355760) is 1-[bis(4-fluorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]imidazole?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]imidazole is Fc1ccc(C(c2ccc(F)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]imidazole?
The InChIKey is CBOUDDGIOBMHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c17-14-5-1-12(2-6-14)16(20-10-9-19-11-20)13-3-7-15(18)8-4-13/h1-11,16H.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]imidazole?
1-[bis(4-fluorophenyl)methyl]imidazole has a molecular weight of 270.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]imidazole is sourced from PubChem (CID 10355760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).