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

C27H26FN3O2 — CID 53036049

IUPAC5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C27H26FN3O2/c1-18-7-9-19(10-8-18)25-26(31(17-29-25)22-5-3-2-4-6-22)23-15-16-24(33-23)27(32)30-21-13-11-20(28)12-14-21/h7-17,22H,2-6H2,1H3,(H,30,32)
InChIKeyVEBWGENJVFKIOF-UHFFFAOYSA-N
MW443.52 g/mol
LogP7.02
Rot. Bonds5

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

5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 53036049) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide
PubChem CID53036049
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C27H26FN3O2/c1-18-7-9-19(10-8-18)25-26(31(17-29-25)22-5-3-2-4-6-22)23-15-16-24(33-23)27(32)30-21-13-11-20(28)12-14-21/h7-17,22H,2-6H2,1H3,(H,30,32)
InChIKeyVEBWGENJVFKIOF-UHFFFAOYSA-N
XLogP7.02
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 57.02
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-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide (CID 53036049) is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide is Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is VEBWGENJVFKIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-18-7-9-19(10-8-18)25-26(31(17-29-25)22-5-3-2-4-6-22)23-15-16-24(33-23)27(32)30-21-13-11-20(28)12-14-21/h7-17,22H,2-6H2,1H3,(H,30,32).
What are the key properties of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 7.02, 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-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 53036049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).