1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole

C19H16F2N2 — CID 70697558

IUPAC1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole
SMILESFc1ccc(C(=CCCn2ccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16F2N2/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)2-1-12-23-13-11-22-14-23/h2-11,13-14H,1,12H2
InChIKeySQHGZLTVNFJVEF-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.68
Rot. Bonds5

About 1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole

1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole (PubChem CID 70697558) has the molecular formula C19H16F2N2 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole
PubChem CID70697558
Molecular FormulaC19H16F2N2
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole
SMILESFc1ccc(C(=CCCn2ccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16F2N2/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)2-1-12-23-13-11-22-14-23/h2-11,13-14H,1,12H2
InChIKeySQHGZLTVNFJVEF-UHFFFAOYSA-N
XLogP4.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole (CID 70697558) is 1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole is Fc1ccc(C(=CCCn2ccnc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole?
The InChIKey is SQHGZLTVNFJVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)2-1-12-23-13-11-22-14-23/h2-11,13-14H,1,12H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole?
1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole has a molecular weight of 310.35 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)but-3-enyl]imidazole is sourced from PubChem (CID 70697558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).