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

C27H26FN3O3 — CID 53115346

IUPAC5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C27H26FN3O3/c1-33-22-10-6-5-9-21(22)30-27(32)24-16-15-23(34-24)26-25(18-11-13-19(28)14-12-18)29-17-31(26)20-7-3-2-4-8-20/h5-6,9-17,20H,2-4,7-8H2,1H3,(H,30,32)
InChIKeyVBQRUKZVDRXMBF-UHFFFAOYSA-N
MW459.52 g/mol
LogP6.72
Rot. Bonds6

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

5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide (PubChem CID 53115346) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide
PubChem CID53115346
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C27H26FN3O3/c1-33-22-10-6-5-9-21(22)30-27(32)24-16-15-23(34-24)26-25(18-11-13-19(28)14-12-18)29-17-31(26)20-7-3-2-4-8-20/h5-6,9-17,20H,2-4,7-8H2,1H3,(H,30,32)
InChIKeyVBQRUKZVDRXMBF-UHFFFAOYSA-N
XLogP6.72
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.52
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide (CID 53115346) is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide is COc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The InChIKey is VBQRUKZVDRXMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-33-22-10-6-5-9-21(22)30-27(32)24-16-15-23(34-24)26-25(18-11-13-19(28)14-12-18)29-17-31(26)20-7-3-2-4-8-20/h5-6,9-17,20H,2-4,7-8H2,1H3,(H,30,32).
What are the key properties of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 6.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 53115346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).