[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone

C25H28FN3O2 — CID 53036147

IUPAC[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1)N1CCCCC1
InChIInChI=1S/C25H28FN3O2/c26-19-11-9-18(10-12-19)23-24(29(17-27-23)20-7-3-1-4-8-20)21-13-14-22(31-21)25(30)28-15-5-2-6-16-28/h9-14,17,20H,1-8,15-16H2
InChIKeyMHXAOFNOFVMDKL-UHFFFAOYSA-N
MW421.52 g/mol
LogP6.08
Rot. Bonds4

About [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone

[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone (PubChem CID 53036147) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
PubChem CID53036147
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1)N1CCCCC1
InChIInChI=1S/C25H28FN3O2/c26-19-11-9-18(10-12-19)23-24(29(17-27-23)20-7-3-1-4-8-20)21-13-14-22(31-21)25(30)28-15-5-2-6-16-28/h9-14,17,20H,1-8,15-16H2
InChIKeyMHXAOFNOFVMDKL-UHFFFAOYSA-N
XLogP6.08
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036107
ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate
CID 53115310
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
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
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-(3-methylphenyl)furan-2-carboxamide
CID 53036105
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 53115217
N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53115200
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]furan-2-carboxamide
CID 95087041
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675

Frequently Asked Questions

What is the IUPAC name of [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone (CID 53036147) is [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone is O=C(c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1)N1CCCCC1.
What is the InChIKey of [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is MHXAOFNOFVMDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c26-19-11-9-18(10-12-19)23-24(29(17-27-23)20-7-3-1-4-8-20)21-13-14-22(31-21)25(30)28-15-5-2-6-16-28/h9-14,17,20H,1-8,15-16H2.
What are the key properties of [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone?
[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 421.52 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53036147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).