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

C28H28FN3O2 — CID 53115319

IUPAC5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)c(C)c1
InChIInChI=1S/C28H28FN3O2/c1-18-8-13-23(19(2)16-18)31-28(33)25-15-14-24(34-25)27-26(20-9-11-21(29)12-10-20)30-17-32(27)22-6-4-3-5-7-22/h8-17,22H,3-7H2,1-2H3,(H,31,33)
InChIKeyIBWURMUNPBVKLR-UHFFFAOYSA-N
MW457.55 g/mol
LogP7.32
Rot. Bonds5

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

5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 53115319) has the molecular formula C28H28FN3O2 and a molecular weight of 457.55 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
PubChem CID53115319
Molecular FormulaC28H28FN3O2
Molecular Weight457.55 g/mol
Exact Mass457.22
IUPAC Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)c(C)c1
InChIInChI=1S/C28H28FN3O2/c1-18-8-13-23(19(2)16-18)31-28(33)25-15-14-24(34-25)27-26(20-9-11-21(29)12-10-20)30-17-32(27)22-6-4-3-5-7-22/h8-17,22H,3-7H2,1-2H3,(H,31,33)
InChIKeyIBWURMUNPBVKLR-UHFFFAOYSA-N
XLogP7.32
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 57.32
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-(2,4-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide (CID 53115319) is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)c(C)c1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide?
The InChIKey is IBWURMUNPBVKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2/c1-18-8-13-23(19(2)16-18)31-28(33)25-15-14-24(34-25)27-26(20-9-11-21(29)12-10-20)30-17-32(27)22-6-4-3-5-7-22/h8-17,22H,3-7H2,1-2H3,(H,31,33).
What are the key properties of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 7.32, 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-(2,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53115319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).