5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole

C30H32F2N4O — CID 67730571

IUPAC5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole
SMILESFc1ccc(CCCC(=CCOCC=C(CCCc2ccc(F)cc2)c2cnc[nH]2)c2cnc[nH]2)cc1
InChIInChI=1S/C30H32F2N4O/c31-27-11-7-23(8-12-27)3-1-5-25(29-19-33-21-35-29)15-17-37-18-16-26(30-20-34-22-36-30)6-2-4-24-9-13-28(32)14-10-24/h7-16,19-22H,1-6,17-18H2,(H,33,35)(H,34,36)
InChIKeyVMBDNBOZWOTGQQ-UHFFFAOYSA-N
MW502.61 g/mol
LogP6.94
Rot. Bonds14

About 5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole

5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole (PubChem CID 67730571) has the molecular formula C30H32F2N4O and a molecular weight of 502.61 g/mol. Its IUPAC name is 5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole
PubChem CID67730571
Molecular FormulaC30H32F2N4O
Molecular Weight502.61 g/mol
Exact Mass502.25
IUPAC Name5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole
SMILESFc1ccc(CCCC(=CCOCC=C(CCCc2ccc(F)cc2)c2cnc[nH]2)c2cnc[nH]2)cc1
InChIInChI=1S/C30H32F2N4O/c31-27-11-7-23(8-12-27)3-1-5-25(29-19-33-21-35-29)15-17-37-18-16-26(30-20-34-22-36-30)6-2-4-24-9-13-28(32)14-10-24/h7-16,19-22H,1-6,17-18H2,(H,33,35)(H,34,36)
InChIKeyVMBDNBOZWOTGQQ-UHFFFAOYSA-N
XLogP6.94
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole?
The IUPAC name of 5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole (CID 67730571) is 5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole.
What is the SMILES notation for 5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole?
The canonical SMILES for 5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole is Fc1ccc(CCCC(=CCOCC=C(CCCc2ccc(F)cc2)c2cnc[nH]2)c2cnc[nH]2)cc1.
What is the InChIKey of 5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole?
The InChIKey is VMBDNBOZWOTGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N4O/c31-27-11-7-23(8-12-27)3-1-5-25(29-19-33-21-35-29)15-17-37-18-16-26(30-20-34-22-36-30)6-2-4-24-9-13-28(32)14-10-24/h7-16,19-22H,1-6,17-18H2,(H,33,35)(H,34,36).
What are the key properties of 5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole?
5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole has a molecular weight of 502.61 g/mol, XLogP of 6.94, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole is sourced from PubChem (CID 67730571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).