1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole

C27H18F2N2 — CID 102235988

IUPAC1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole
SMILESFc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C27H18F2N2/c28-22-13-11-21(12-14-22)27-30-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)31(27)24-17-15-23(29)16-18-24/h1-18H
InChIKeyCVOPICORSWPCMP-UHFFFAOYSA-N
MW408.45 g/mol
LogP7.15
Rot. Bonds4

About 1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole

1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole (PubChem CID 102235988) has the molecular formula C27H18F2N2 and a molecular weight of 408.45 g/mol. Its IUPAC name is 1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole.

Molecular Properties

Compound Name1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole
PubChem CID102235988
Molecular FormulaC27H18F2N2
Molecular Weight408.45 g/mol
Exact Mass408.14
IUPAC Name1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole
SMILESFc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C27H18F2N2/c28-22-13-11-21(12-14-22)27-30-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)31(27)24-17-15-23(29)16-18-24/h1-18H
InChIKeyCVOPICORSWPCMP-UHFFFAOYSA-N
XLogP7.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole?
The IUPAC name of 1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole (CID 102235988) is 1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole.
What is the SMILES notation for 1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole?
The canonical SMILES for 1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole is Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole?
The InChIKey is CVOPICORSWPCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F2N2/c28-22-13-11-21(12-14-22)27-30-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)31(27)24-17-15-23(29)16-18-24/h1-18H.
What are the key properties of 1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole?
1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole has a molecular weight of 408.45 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-fluorophenyl)-4,5-diphenylimidazole is sourced from PubChem (CID 102235988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).