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

C27H24FN3O3 — CID 53115201

IUPACN-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1
InChIInChI=1S/C27H24FN3O3/c1-17(32)18-8-12-21(13-9-18)30-27(33)24-15-14-23(34-24)26-25(19-6-10-20(28)11-7-19)29-16-31(26)22-4-2-3-5-22/h6-16,22H,2-5H2,1H3,(H,30,33)
InChIKeyISSFPHPDMLUKPK-UHFFFAOYSA-N
MW457.51 g/mol
LogP6.52
Rot. Bonds6

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

N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115201) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115201
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC NameN-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1
InChIInChI=1S/C27H24FN3O3/c1-17(32)18-8-12-21(13-9-18)30-27(33)24-15-14-23(34-24)26-25(19-6-10-20(28)11-7-19)29-16-31(26)22-4-2-3-5-22/h6-16,22H,2-5H2,1H3,(H,30,33)
InChIKeyISSFPHPDMLUKPK-UHFFFAOYSA-N
XLogP6.52
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115201) is N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is ISSFPHPDMLUKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-17(32)18-8-12-21(13-9-18)30-27(33)24-15-14-23(34-24)26-25(19-6-10-20(28)11-7-19)29-16-31(26)22-4-2-3-5-22/h6-16,22H,2-5H2,1H3,(H,30,33).
What are the key properties of N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).