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

C26H23F2N3O2 — CID 53036103

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C26H23F2N3O2/c1-16-14-19(28)10-11-21(16)30-26(32)23-13-12-22(33-23)25-24(17-6-8-18(27)9-7-17)29-15-31(25)20-4-2-3-5-20/h6-15,20H,2-5H2,1H3,(H,30,32)
InChIKeyYLDDOLAWPICWDH-UHFFFAOYSA-N
MW447.49 g/mol
LogP6.76
Rot. Bonds5

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

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide (PubChem CID 53036103) has the molecular formula C26H23F2N3O2 and a molecular weight of 447.49 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
PubChem CID53036103
Molecular FormulaC26H23F2N3O2
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C26H23F2N3O2/c1-16-14-19(28)10-11-21(16)30-26(32)23-13-12-22(33-23)25-24(17-6-8-18(27)9-7-17)29-15-31(25)20-4-2-3-5-20/h6-15,20H,2-5H2,1H3,(H,30,32)
InChIKeyYLDDOLAWPICWDH-UHFFFAOYSA-N
XLogP6.76
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 56.76
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-fluoro-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide (CID 53036103) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
The InChIKey is YLDDOLAWPICWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2/c1-16-14-19(28)10-11-21(16)30-26(32)23-13-12-22(33-23)25-24(17-6-8-18(27)9-7-17)29-15-31(25)20-4-2-3-5-20/h6-15,20H,2-5H2,1H3,(H,30,32).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 6.76, 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-fluoro-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53036103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).