2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole

C30H18F4N4 — CID 68616974

IUPAC2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
SMILESFc1ccc(-c2nc(-c3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)[nH]3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C30H18F4N4/c31-21-9-1-17(2-10-21)25-26(18-3-11-22(32)12-4-18)36-29(35-25)30-37-27(19-5-13-23(33)14-6-19)28(38-30)20-7-15-24(34)16-8-20/h1-16H,(H,35,36)(H,37,38)
InChIKeyPJSFZQXOGDYKJK-UHFFFAOYSA-N
MW510.49 g/mol
LogP8.02
Rot. Bonds5

About 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole

2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole (PubChem CID 68616974) has the molecular formula C30H18F4N4 and a molecular weight of 510.49 g/mol. Its IUPAC name is 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
PubChem CID68616974
Molecular FormulaC30H18F4N4
Molecular Weight510.49 g/mol
Exact Mass510.15
IUPAC Name2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
SMILESFc1ccc(-c2nc(-c3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)[nH]3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C30H18F4N4/c31-21-9-1-17(2-10-21)25-26(18-3-11-22(32)12-4-18)36-29(35-25)30-37-27(19-5-13-23(33)14-6-19)28(38-30)20-7-15-24(34)16-8-20/h1-16H,(H,35,36)(H,37,38)
InChIKeyPJSFZQXOGDYKJK-UHFFFAOYSA-N
XLogP8.02
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.49
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole?
The IUPAC name of 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole (CID 68616974) is 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole.
What is the SMILES notation for 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole?
The canonical SMILES for 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole is Fc1ccc(-c2nc(-c3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)[nH]3)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole?
The InChIKey is PJSFZQXOGDYKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F4N4/c31-21-9-1-17(2-10-21)25-26(18-3-11-22(32)12-4-18)36-29(35-25)30-37-27(19-5-13-23(33)14-6-19)28(38-30)20-7-15-24(34)16-8-20/h1-16H,(H,35,36)(H,37,38).
What are the key properties of 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole?
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole has a molecular weight of 510.49 g/mol, XLogP of 8.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole is sourced from PubChem (CID 68616974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).