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

C27H26FN3O4 — CID 53115212

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc(OC)c1
InChIInChI=1S/C27H26FN3O4/c1-33-21-13-19(14-22(15-21)34-2)30-27(32)24-12-11-23(35-24)26-25(17-7-9-18(28)10-8-17)29-16-31(26)20-5-3-4-6-20/h7-16,20H,3-6H2,1-2H3,(H,30,32)
InChIKeyXFFPRUSTZBJTSC-UHFFFAOYSA-N
MW475.52 g/mol
LogP6.33
Rot. Bonds7

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

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 53115212) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
PubChem CID53115212
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc(OC)c1
InChIInChI=1S/C27H26FN3O4/c1-33-21-13-19(14-22(15-21)34-2)30-27(32)24-12-11-23(35-24)26-25(17-7-9-18(28)10-8-17)29-16-31(26)20-5-3-4-6-20/h7-16,20H,3-6H2,1-2H3,(H,30,32)
InChIKeyXFFPRUSTZBJTSC-UHFFFAOYSA-N
XLogP6.33
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide (CID 53115212) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc(OC)c1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide?
The InChIKey is XFFPRUSTZBJTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-33-21-13-19(14-22(15-21)34-2)30-27(32)24-12-11-23(35-24)26-25(17-7-9-18(28)10-8-17)29-16-31(26)20-5-3-4-6-20/h7-16,20H,3-6H2,1-2H3,(H,30,32).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 53115212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).