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

C27H26FN3O2 — CID 53036077

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1
InChIInChI=1S/C27H26FN3O2/c1-2-18-7-13-21(14-8-18)30-27(32)24-16-15-23(33-24)26-25(19-9-11-20(28)12-10-19)29-17-31(26)22-5-3-4-6-22/h7-17,22H,2-6H2,1H3,(H,30,32)
InChIKeyVHBIVOIWMNXHQR-UHFFFAOYSA-N
MW443.52 g/mol
LogP6.88
Rot. Bonds6

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

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide (PubChem CID 53036077) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide
PubChem CID53036077
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1
InChIInChI=1S/C27H26FN3O2/c1-2-18-7-13-21(14-8-18)30-27(32)24-16-15-23(33-24)26-25(19-9-11-20(28)12-10-19)29-17-31(26)22-5-3-4-6-22/h7-17,22H,2-6H2,1H3,(H,30,32)
InChIKeyVHBIVOIWMNXHQR-UHFFFAOYSA-N
XLogP6.88
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide (CID 53036077) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide is CCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide?
The InChIKey is VHBIVOIWMNXHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-2-18-7-13-21(14-8-18)30-27(32)24-16-15-23(33-24)26-25(19-9-11-20(28)12-10-19)29-17-31(26)22-5-3-4-6-22/h7-17,22H,2-6H2,1H3,(H,30,32).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53036077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).