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

C23H17F2N3O2 — CID 154685964

IUPAC5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CC2)o1
InChIInChI=1S/C23H17F2N3O2/c24-15-7-5-14(6-8-15)21-22(28(13-26-21)16-9-10-16)19-11-12-20(30-19)23(29)27-18-4-2-1-3-17(18)25/h1-8,11-13,16H,9-10H2,(H,27,29)
InChIKeyGOYOZLWEHBWSHT-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.68
Rot. Bonds5

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

5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 154685964) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
PubChem CID154685964
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CC2)o1
InChIInChI=1S/C23H17F2N3O2/c24-15-7-5-14(6-8-15)21-22(28(13-26-21)16-9-10-16)19-11-12-20(30-19)23(29)27-18-4-2-1-3-17(18)25/h1-8,11-13,16H,9-10H2,(H,27,29)
InChIKeyGOYOZLWEHBWSHT-UHFFFAOYSA-N
XLogP5.68
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide (CID 154685964) is 5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CC2)o1.
What is the InChIKey of 5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is GOYOZLWEHBWSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c24-15-7-5-14(6-8-15)21-22(28(13-26-21)16-9-10-16)19-11-12-20(30-19)23(29)27-18-4-2-1-3-17(18)25/h1-8,11-13,16H,9-10H2,(H,27,29).
What are the key properties of 5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?
5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 154685964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).