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

C25H21BrFN3O2 — CID 53115249

IUPACN-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H21BrFN3O2/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)
InChIKeyYCYMKWLYOBLWHH-UHFFFAOYSA-N
MW494.36 g/mol
LogP7.08
Rot. Bonds5

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

N-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115249) has the molecular formula C25H21BrFN3O2 and a molecular weight of 494.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115249
Molecular FormulaC25H21BrFN3O2
Molecular Weight494.36 g/mol
Exact Mass493.08
IUPAC NameN-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H21BrFN3O2/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)
InChIKeyYCYMKWLYOBLWHH-UHFFFAOYSA-N
XLogP7.08
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.36
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115249) is N-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of N-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is YCYMKWLYOBLWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrFN3O2/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-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 494.36 g/mol, XLogP of 7.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).