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

C27H26FN3O2 — CID 53036074

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1C
InChIInChI=1S/C27H26FN3O2/c1-17-6-5-9-22(18(17)2)30-27(32)24-15-14-23(33-24)26-25(19-10-12-20(28)13-11-19)29-16-31(26)21-7-3-4-8-21/h5-6,9-16,21H,3-4,7-8H2,1-2H3,(H,30,32)
InChIKeyCPSFZCLACXEMLI-UHFFFAOYSA-N
MW443.52 g/mol
LogP6.93
Rot. Bonds5

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

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide (PubChem CID 53036074) 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-(2,3-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
PubChem CID53036074
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1C
InChIInChI=1S/C27H26FN3O2/c1-17-6-5-9-22(18(17)2)30-27(32)24-15-14-23(33-24)26-25(19-10-12-20(28)13-11-19)29-16-31(26)21-7-3-4-8-21/h5-6,9-16,21H,3-4,7-8H2,1-2H3,(H,30,32)
InChIKeyCPSFZCLACXEMLI-UHFFFAOYSA-N
XLogP6.93
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 ≤ 56.93
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-(2,3-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide (CID 53036074) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1C.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The InChIKey is CPSFZCLACXEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-17-6-5-9-22(18(17)2)30-27(32)24-15-14-23(33-24)26-25(19-10-12-20(28)13-11-19)29-16-31(26)21-7-3-4-8-21/h5-6,9-16,21H,3-4,7-8H2,1-2H3,(H,30,32).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 6.93, 5 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-(2,3-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53036074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).