5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide

C28H28FN3O2 — CID 53115308

IUPAC5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C28H28FN3O2/c1-18-7-6-8-19(2)25(18)31-28(33)24-16-15-23(34-24)27-26(20-11-13-21(29)14-12-20)30-17-32(27)22-9-4-3-5-10-22/h6-8,11-17,22H,3-5,9-10H2,1-2H3,(H,31,33)
InChIKeyJMXAFFFHVLPHPU-UHFFFAOYSA-N
MW457.55 g/mol
LogP7.32
Rot. Bonds5

About 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide

5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide (PubChem CID 53115308) 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-(2,6-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
PubChem CID53115308
Molecular FormulaC28H28FN3O2
Molecular Weight457.55 g/mol
Exact Mass457.22
IUPAC Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C28H28FN3O2/c1-18-7-6-8-19(2)25(18)31-28(33)24-16-15-23(34-24)27-26(20-11-13-21(29)14-12-20)30-17-32(27)22-9-4-3-5-10-22/h6-8,11-17,22H,3-5,9-10H2,1-2H3,(H,31,33)
InChIKeyJMXAFFFHVLPHPU-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-(2,6-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide (CID 53115308) is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide?
The InChIKey is JMXAFFFHVLPHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2/c1-18-7-6-8-19(2)25(18)31-28(33)24-16-15-23(34-24)27-26(20-11-13-21(29)14-12-20)30-17-32(27)22-9-4-3-5-10-22/h6-8,11-17,22H,3-5,9-10H2,1-2H3,(H,31,33).
What are the key properties of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-dimethylphenyl)furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,6-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-(2,6-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53115308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).