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

C26H22F3N3O2 — CID 53115341

IUPAC5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C26H22F3N3O2/c27-17-8-6-16(7-9-17)24-25(32(15-30-24)19-4-2-1-3-5-19)22-12-13-23(34-22)26(33)31-18-10-11-20(28)21(29)14-18/h6-15,19H,1-5H2,(H,31,33)
InChIKeyJQLFNUDNPNFXQP-UHFFFAOYSA-N
MW465.48 g/mol
LogP6.98
Rot. Bonds5

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

5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide (PubChem CID 53115341) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide
PubChem CID53115341
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C26H22F3N3O2/c27-17-8-6-16(7-9-17)24-25(32(15-30-24)19-4-2-1-3-5-19)22-12-13-23(34-22)26(33)31-18-10-11-20(28)21(29)14-18/h6-15,19H,1-5H2,(H,31,33)
InChIKeyJQLFNUDNPNFXQP-UHFFFAOYSA-N
XLogP6.98
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 56.98
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-(3,4-difluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide (CID 53115341) is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide?
The InChIKey is JQLFNUDNPNFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c27-17-8-6-16(7-9-17)24-25(32(15-30-24)19-4-2-1-3-5-19)22-12-13-23(34-22)26(33)31-18-10-11-20(28)21(29)14-18/h6-15,19H,1-5H2,(H,31,33).
What are the key properties of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-difluorophenyl)furan-2-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 6.98, 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-(3,4-difluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 53115341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).