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

C25H21F2N3O2 — CID 53036079

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H21F2N3O2/c26-17-10-8-16(9-11-17)23-24(30(15-28-23)20-6-1-2-7-20)21-12-13-22(32-21)25(31)29-19-5-3-4-18(27)14-19/h3-5,8-15,20H,1-2,6-7H2,(H,29,31)
InChIKeyYJVZYDNNGQCFEQ-UHFFFAOYSA-N
MW433.46 g/mol
LogP6.46
Rot. Bonds5

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

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide (PubChem CID 53036079) has the molecular formula C25H21F2N3O2 and a molecular weight of 433.46 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide
PubChem CID53036079
Molecular FormulaC25H21F2N3O2
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H21F2N3O2/c26-17-10-8-16(9-11-17)23-24(30(15-28-23)20-6-1-2-7-20)21-12-13-22(32-21)25(31)29-19-5-3-4-18(27)14-19/h3-5,8-15,20H,1-2,6-7H2,(H,29,31)
InChIKeyYJVZYDNNGQCFEQ-UHFFFAOYSA-N
XLogP6.46
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 56.46
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-(3-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide (CID 53036079) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide?
The InChIKey is YJVZYDNNGQCFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O2/c26-17-10-8-16(9-11-17)23-24(30(15-28-23)20-6-1-2-7-20)21-12-13-22(32-21)25(31)29-19-5-3-4-18(27)14-19/h3-5,8-15,20H,1-2,6-7H2,(H,29,31).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 6.46, 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-(3-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 53036079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).