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

C25H21ClFN3O2 — CID 53036071

IUPACN-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H21ClFN3O2/c26-17-7-11-19(12-8-17)29-25(31)22-14-13-21(32-22)24-23(16-5-9-18(27)10-6-16)28-15-30(24)20-3-1-2-4-20/h5-15,20H,1-4H2,(H,29,31)
InChIKeyLQYGLUICAZYCHN-UHFFFAOYSA-N
MW449.91 g/mol
LogP6.97
Rot. Bonds5

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

N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53036071) has the molecular formula C25H21ClFN3O2 and a molecular weight of 449.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53036071
Molecular FormulaC25H21ClFN3O2
Molecular Weight449.91 g/mol
Exact Mass449.13
IUPAC NameN-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H21ClFN3O2/c26-17-7-11-19(12-8-17)29-25(31)22-14-13-21(32-22)24-23(16-5-9-18(27)10-6-16)28-15-30(24)20-3-1-2-4-20/h5-15,20H,1-4H2,(H,29,31)
InChIKeyLQYGLUICAZYCHN-UHFFFAOYSA-N
XLogP6.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.91
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53036071) is N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is LQYGLUICAZYCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O2/c26-17-7-11-19(12-8-17)29-25(31)22-14-13-21(32-22)24-23(16-5-9-18(27)10-6-16)28-15-30(24)20-3-1-2-4-20/h5-15,20H,1-4H2,(H,29,31).
What are the key properties of N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 449.91 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53036071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).