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

C26H24FN3O2 — CID 53036105

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1
InChIInChI=1S/C26H24FN3O2/c1-17-5-4-6-20(15-17)29-26(31)23-14-13-22(32-23)25-24(18-9-11-19(27)12-10-18)28-16-30(25)21-7-2-3-8-21/h4-6,9-16,21H,2-3,7-8H2,1H3,(H,29,31)
InChIKeyAMTPPKYFTXUVJY-UHFFFAOYSA-N
MW429.50 g/mol
LogP6.63
Rot. Bonds5

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

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide (PubChem CID 53036105) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide
PubChem CID53036105
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1
InChIInChI=1S/C26H24FN3O2/c1-17-5-4-6-20(15-17)29-26(31)23-14-13-22(32-23)25-24(18-9-11-19(27)12-10-18)28-16-30(25)21-7-2-3-8-21/h4-6,9-16,21H,2-3,7-8H2,1H3,(H,29,31)
InChIKeyAMTPPKYFTXUVJY-UHFFFAOYSA-N
XLogP6.63
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 157241361
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methylphenyl)furan-2-carboxamide
CID 53036086
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]furan-2-carboxamide
CID 95087041
N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53115200
N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53036069
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 95087066
N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 95056556
[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036147
[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036107
N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;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-(2,3-dimethylphenyl)furan-2-carboxamide
CID 160695530
5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide
CID 53115293
[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol
CID 155077592

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide (CID 53036105) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide?
The InChIKey is AMTPPKYFTXUVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-17-5-4-6-20(15-17)29-26(31)23-14-13-22(32-23)25-24(18-9-11-19(27)12-10-18)28-16-30(25)21-7-2-3-8-21/h4-6,9-16,21H,2-3,7-8H2,1H3,(H,29,31).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 6.63, 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-(3-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53036105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).