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

C26H23ClFN3O2 — CID 53115301

IUPACN-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C26H23ClFN3O2/c27-18-8-12-20(13-9-18)30-26(32)23-15-14-22(33-23)25-24(17-6-10-19(28)11-7-17)29-16-31(25)21-4-2-1-3-5-21/h6-16,21H,1-5H2,(H,30,32)
InChIKeyZBZMGSOMPAZJPI-UHFFFAOYSA-N
MW463.94 g/mol
LogP7.36
Rot. Bonds5

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

N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115301) has the molecular formula C26H23ClFN3O2 and a molecular weight of 463.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115301
Molecular FormulaC26H23ClFN3O2
Molecular Weight463.94 g/mol
Exact Mass463.15
IUPAC NameN-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C26H23ClFN3O2/c27-18-8-12-20(13-9-18)30-26(32)23-15-14-22(33-23)25-24(17-6-10-19(28)11-7-17)29-16-31(25)21-4-2-1-3-5-21/h6-16,21H,1-5H2,(H,30,32)
InChIKeyZBZMGSOMPAZJPI-UHFFFAOYSA-N
XLogP7.36
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.94
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115301) is N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1.
What is the InChIKey of N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is ZBZMGSOMPAZJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O2/c27-18-8-12-20(13-9-18)30-26(32)23-15-14-22(33-23)25-24(17-6-10-19(28)11-7-17)29-16-31(25)21-4-2-1-3-5-21/h6-16,21H,1-5H2,(H,30,32).
What are the key properties of N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(4-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 7.36, 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-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).