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

C26H24FN3O2 — CID 53036104

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1
InChIInChI=1S/C26H24FN3O2/c1-17-6-12-20(13-7-17)29-26(31)23-15-14-22(32-23)25-24(18-8-10-19(27)11-9-18)28-16-30(25)21-4-2-3-5-21/h6-16,21H,2-5H2,1H3,(H,29,31)
InChIKeyWWFSKAMRQLRLTJ-UHFFFAOYSA-N
MW429.50 g/mol
LogP6.63
Rot. Bonds5

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

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide (PubChem CID 53036104) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
PubChem CID53036104
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1
InChIInChI=1S/C26H24FN3O2/c1-17-6-12-20(13-7-17)29-26(31)23-15-14-22(32-23)25-24(18-8-10-19(27)11-9-18)28-16-30(25)21-4-2-3-5-21/h6-16,21H,2-5H2,1H3,(H,29,31)
InChIKeyWWFSKAMRQLRLTJ-UHFFFAOYSA-N
XLogP6.63
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide (CID 53036104) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is WWFSKAMRQLRLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-17-6-12-20(13-7-17)29-26(31)23-15-14-22(32-23)25-24(18-8-10-19(27)11-9-18)28-16-30(25)21-4-2-3-5-21/h6-16,21H,2-5H2,1H3,(H,29,31).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 6.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53036104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).