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

C25H20F3N3O2 — CID 53115210

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H20F3N3O2/c26-16-7-5-15(6-8-16)23-24(31(14-29-23)18-3-1-2-4-18)21-11-12-22(33-21)25(32)30-20-10-9-17(27)13-19(20)28/h5-14,18H,1-4H2,(H,30,32)
InChIKeyRBPNVVLVIGSUDX-UHFFFAOYSA-N
MW451.45 g/mol
LogP6.59
Rot. Bonds5

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

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide (PubChem CID 53115210) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide
PubChem CID53115210
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H20F3N3O2/c26-16-7-5-15(6-8-16)23-24(31(14-29-23)18-3-1-2-4-18)21-11-12-22(33-21)25(32)30-20-10-9-17(27)13-19(20)28/h5-14,18H,1-4H2,(H,30,32)
InChIKeyRBPNVVLVIGSUDX-UHFFFAOYSA-N
XLogP6.59
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 56.59
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-(2,4-difluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide (CID 53115210) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide?
The InChIKey is RBPNVVLVIGSUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c26-16-7-5-15(6-8-16)23-24(31(14-29-23)18-3-1-2-4-18)21-11-12-22(33-21)25(32)30-20-10-9-17(27)13-19(20)28/h5-14,18H,1-4H2,(H,30,32).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-difluorophenyl)furan-2-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 6.59, 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-(2,4-difluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 53115210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).