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

C23H26FN3O2 — CID 53036069

IUPACN-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C23H26FN3O2/c1-3-15(2)26-23(28)20-13-12-19(29-20)22-21(16-8-10-17(24)11-9-16)25-14-27(22)18-6-4-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,26,28)
InChIKeySGYNMOQYDCJHPS-UHFFFAOYSA-N
MW395.48 g/mol
LogP5.59
Rot. Bonds6

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

N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53036069) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53036069
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C23H26FN3O2/c1-3-15(2)26-23(28)20-13-12-19(29-20)22-21(16-8-10-17(24)11-9-16)25-14-27(22)18-6-4-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,26,28)
InChIKeySGYNMOQYDCJHPS-UHFFFAOYSA-N
XLogP5.59
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 95056555
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]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 95087066
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]furan-2-carboxamide
CID 95087041
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 53115217
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]furan-2-yl]-piperidin-1-ylmethanone
CID 53036107
[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]-N-(3-methylphenyl)furan-2-carboxamide
CID 53036105
N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53115200
5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide
CID 53115293
ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate
CID 53115310

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53036069) is N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is CCC(C)NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is SGYNMOQYDCJHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-3-15(2)26-23(28)20-13-12-19(29-20)22-21(16-8-10-17(24)11-9-16)25-14-27(22)18-6-4-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,26,28).
What are the key properties of N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53036069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).