5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide

C25H21F2N3O2 — CID 53036080

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESC1CCC(C1)N2C=NC(=C2C3=CC=C(O3)C(=O)NC4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChIInChI=1S/C25H21F2N3O2/c26-17-7-5-16(6-8-17)23-24(30(15-28-23)20-3-1-2-4-20)21-13-14-22(32-21)25(31)29-19-11-9-18(27)10-12-19/h5-15,20H,1-4H2,(H,29,31)
InChIKeyROBNMKKERIMYQP-UHFFFAOYSA-N
MW433.40 g/mol
LogP5.00
Rot. Bonds5

About 5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide

5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 53036080) has the molecular formula C25H21F2N3O2 and a molecular weight of 433.40 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide
PubChem CID53036080
Molecular FormulaC25H21F2N3O2
Molecular Weight433.40 g/mol
Exact Mass433.16
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESC1CCC(C1)N2C=NC(=C2C3=CC=C(O3)C(=O)NC4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChIInChI=1S/C25H21F2N3O2/c26-17-7-5-16(6-8-17)23-24(30(15-28-23)20-3-1-2-4-20)21-13-14-22(32-21)25(31)29-19-11-9-18(27)10-12-19/h5-15,20H,1-4H2,(H,29,31)
InChIKeyROBNMKKERIMYQP-UHFFFAOYSA-N
XLogP5.00
TPSA60.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity631

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide (CID 53036080) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide is C1CCC(C1)N2C=NC(=C2C3=CC=C(O3)C(=O)NC4=CC=C(C=C4)F)C5=CC=C(C=C5)F.
What is the InChIKey of 5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is ROBNMKKERIMYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O2/c26-17-7-5-16(6-8-17)23-24(30(15-28-23)20-3-1-2-4-20)21-13-14-22(32-21)25(31)29-19-11-9-18(27)10-12-19/h5-15,20H,1-4H2,(H,29,31).
What are the key properties of 5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide?
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 433.40 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 53036080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).