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

C26H23F2N3O2 — CID 53115311

IUPAC5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C26H23F2N3O2/c27-18-11-9-17(10-12-18)24-25(31(16-29-24)21-7-2-1-3-8-21)22-13-14-23(33-22)26(32)30-20-6-4-5-19(28)15-20/h4-6,9-16,21H,1-3,7-8H2,(H,30,32)
InChIKeyYXTUXFBKHGBPPN-UHFFFAOYSA-N
MW447.49 g/mol
LogP6.85
Rot. Bonds5

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

5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide (PubChem CID 53115311) has the molecular formula C26H23F2N3O2 and a molecular weight of 447.49 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide
PubChem CID53115311
Molecular FormulaC26H23F2N3O2
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C26H23F2N3O2/c27-18-11-9-17(10-12-18)24-25(31(16-29-24)21-7-2-1-3-8-21)22-13-14-23(33-22)26(32)30-20-6-4-5-19(28)15-20/h4-6,9-16,21H,1-3,7-8H2,(H,30,32)
InChIKeyYXTUXFBKHGBPPN-UHFFFAOYSA-N
XLogP6.85
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide (CID 53115311) is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide?
The InChIKey is YXTUXFBKHGBPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2/c27-18-11-9-17(10-12-18)24-25(31(16-29-24)21-7-2-1-3-8-21)22-13-14-23(33-22)26(32)30-20-6-4-5-19(28)15-20/h4-6,9-16,21H,1-3,7-8H2,(H,30,32).
What are the key properties of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 6.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 53115311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).