5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide

C25H24FN3O3 — CID 164938217

IUPAC5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(CCO)cc2)o1
InChIInChI=1S/C25H24FN3O3/c1-16(2)29-15-27-23(18-5-7-19(26)8-6-18)24(29)21-11-12-22(32-21)25(31)28-20-9-3-17(4-10-20)13-14-30/h3-12,15-16,30H,13-14H2,1-2H3,(H,28,31)
InChIKeyCXMURJVCMJRHAM-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.32
Rot. Bonds7

About 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide

5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide (PubChem CID 164938217) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide
PubChem CID164938217
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(CCO)cc2)o1
InChIInChI=1S/C25H24FN3O3/c1-16(2)29-15-27-23(18-5-7-19(26)8-6-18)24(29)21-11-12-22(32-21)25(31)28-20-9-3-17(4-10-20)13-14-30/h3-12,15-16,30H,13-14H2,1-2H3,(H,28,31)
InChIKeyCXMURJVCMJRHAM-UHFFFAOYSA-N
XLogP5.32
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide (CID 164938217) is 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide is CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(CCO)cc2)o1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide?
The InChIKey is CXMURJVCMJRHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-16(2)29-15-27-23(18-5-7-19(26)8-6-18)24(29)21-11-12-22(32-21)25(31)28-20-9-3-17(4-10-20)13-14-30/h3-12,15-16,30H,13-14H2,1-2H3,(H,28,31).
What are the key properties of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide?
5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 164938217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).