2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole

C22H18F2N2O — CID 145093347

IUPAC2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole
SMILESCc1[nH]c(-c2ccc(-c3ccc(C(C)(F)F)cc3)o2)nc1-c1ccccc1
InChIInChI=1S/C22H18F2N2O/c1-14-20(16-6-4-3-5-7-16)26-21(25-14)19-13-12-18(27-19)15-8-10-17(11-9-15)22(2,23)24/h3-13H,1-2H3,(H,25,26)
InChIKeyZUAWVIIMOPFENO-UHFFFAOYSA-N
MW364.40 g/mol
LogP6.42
Rot. Bonds4

About 2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole

2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole (PubChem CID 145093347) has the molecular formula C22H18F2N2O and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole
PubChem CID145093347
Molecular FormulaC22H18F2N2O
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole
SMILESCc1[nH]c(-c2ccc(-c3ccc(C(C)(F)F)cc3)o2)nc1-c1ccccc1
InChIInChI=1S/C22H18F2N2O/c1-14-20(16-6-4-3-5-7-16)26-21(25-14)19-13-12-18(27-19)15-8-10-17(11-9-15)22(2,23)24/h3-13H,1-2H3,(H,25,26)
InChIKeyZUAWVIIMOPFENO-UHFFFAOYSA-N
XLogP6.42
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The IUPAC name of 2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole (CID 145093347) is 2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The canonical SMILES for 2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole is Cc1[nH]c(-c2ccc(-c3ccc(C(C)(F)F)cc3)o2)nc1-c1ccccc1.
What is the InChIKey of 2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The InChIKey is ZUAWVIIMOPFENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O/c1-14-20(16-6-4-3-5-7-16)26-21(25-14)19-13-12-18(27-19)15-8-10-17(11-9-15)22(2,23)24/h3-13H,1-2H3,(H,25,26).
What are the key properties of 2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole?
2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole has a molecular weight of 364.40 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole is sourced from PubChem (CID 145093347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).