1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone

C25H23F2N3O2 — CID 159015329

IUPAC1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone
SMILESCC(C)(C)Cn1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Cc2ccncc2F)o1
InChIInChI=1S/C25H23F2N3O2/c1-25(2,3)14-30-15-29-23(16-4-6-18(26)7-5-16)24(30)22-9-8-21(32-22)20(31)12-17-10-11-28-13-19(17)27/h4-11,13,15H,12,14H2,1-3H3
InChIKeyUUALOZXHFRQHQR-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.95
Rot. Bonds6

About 1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone

1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone (PubChem CID 159015329) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is 1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone
PubChem CID159015329
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC Name1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone
SMILESCC(C)(C)Cn1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Cc2ccncc2F)o1
InChIInChI=1S/C25H23F2N3O2/c1-25(2,3)14-30-15-29-23(16-4-6-18(26)7-5-16)24(30)22-9-8-21(32-22)20(31)12-17-10-11-28-13-19(17)27/h4-11,13,15H,12,14H2,1-3H3
InChIKeyUUALOZXHFRQHQR-UHFFFAOYSA-N
XLogP5.95
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone
CID 159734662
5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
CID 160565769
5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
CID 154685931
tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 158471441
5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
CID 154685923
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
CID 67015142
N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53036069
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
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol
CID 140510144
4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole
CID 10651259
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide
CID 53036105

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone?
The IUPAC name of 1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone (CID 159015329) is 1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone?
The canonical SMILES for 1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone is CC(C)(C)Cn1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Cc2ccncc2F)o1.
What is the InChIKey of 1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone?
The InChIKey is UUALOZXHFRQHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c1-25(2,3)14-30-15-29-23(16-4-6-18(26)7-5-16)24(30)22-9-8-21(32-22)20(31)12-17-10-11-28-13-19(17)27/h4-11,13,15H,12,14H2,1-3H3.
What are the key properties of 1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone?
1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone has a molecular weight of 435.47 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone is sourced from PubChem (CID 159015329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).