N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide

C24H19F2N3O3 — CID 176637902

IUPACN-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc(-c2ccccc2F)n1C1CCOC1)c1ccco1
InChIInChI=1S/C24H19F2N3O3/c25-16-9-7-15(8-10-16)21-23(28-24(30)20-6-3-12-32-20)29(17-11-13-31-14-17)22(27-21)18-4-1-2-5-19(18)26/h1-10,12,17H,11,13-14H2,(H,28,30)
InChIKeyRUUFYSYDGVRBPI-UHFFFAOYSA-N
MW435.43 g/mol
LogP5.30
Rot. Bonds5

About N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide

N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 176637902) has the molecular formula C24H19F2N3O3 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide
PubChem CID176637902
Molecular FormulaC24H19F2N3O3
Molecular Weight435.43 g/mol
Exact Mass435.14
IUPAC NameN-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc(-c2ccccc2F)n1C1CCOC1)c1ccco1
InChIInChI=1S/C24H19F2N3O3/c25-16-9-7-15(8-10-16)21-23(28-24(30)20-6-3-12-32-20)29(17-11-13-31-14-17)22(27-21)18-4-1-2-5-19(18)26/h1-10,12,17H,11,13-14H2,(H,28,30)
InChIKeyRUUFYSYDGVRBPI-UHFFFAOYSA-N
XLogP5.30
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide (CID 176637902) is N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1c(-c2ccc(F)cc2)nc(-c2ccccc2F)n1C1CCOC1)c1ccco1.
What is the InChIKey of N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is RUUFYSYDGVRBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3/c25-16-9-7-15(8-10-16)21-23(28-24(30)20-6-3-12-32-20)29(17-11-13-31-14-17)22(27-21)18-4-1-2-5-19(18)26/h1-10,12,17H,11,13-14H2,(H,28,30).
What are the key properties of N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide?
N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 176637902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).