[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone

C19H12FN3O2 — CID 67429019

IUPAC[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone
SMILESO=C(c1cn(-c2cccc(-c3ccncc3F)c2)cn1)c1ccco1
InChIInChI=1S/C19H12FN3O2/c20-16-10-21-7-6-15(16)13-3-1-4-14(9-13)23-11-17(22-12-23)19(24)18-5-2-8-25-18/h1-12H
InChIKeyMZDUZBUTJJENBG-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.90
Rot. Bonds4

About [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone

[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone (PubChem CID 67429019) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone
PubChem CID67429019
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone
SMILESO=C(c1cn(-c2cccc(-c3ccncc3F)c2)cn1)c1ccco1
InChIInChI=1S/C19H12FN3O2/c20-16-10-21-7-6-15(16)13-3-1-4-14(9-13)23-11-17(22-12-23)19(24)18-5-2-8-25-18/h1-12H
InChIKeyMZDUZBUTJJENBG-UHFFFAOYSA-N
XLogP3.90
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan
CID 159044430
furan-2-yl-[1-[3-(2-methoxyphenyl)phenyl]imidazol-4-yl]methanone
CID 67430389
[1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole
CID 67430070
2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile
CID 174549260
2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile
CID 67430776
1-bromo-4-fluorobenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(3-fluorophenyl)methanone
CID 67429012
1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
CID 67430373
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(3-methoxyphenyl)methanone
CID 67428511
1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide
CID 16678701
2-bromopyrimidine;[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone
CID 87396393
[1-(ethoxymethyl)imidazol-2-yl]-[1-[3-(5-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]methanone
CID 67430316
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
CID 67429660

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone?
The IUPAC name of [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone (CID 67429019) is [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone?
The canonical SMILES for [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone is O=C(c1cn(-c2cccc(-c3ccncc3F)c2)cn1)c1ccco1.
What is the InChIKey of [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone?
The InChIKey is MZDUZBUTJJENBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-16-10-21-7-6-15(16)13-3-1-4-14(9-13)23-11-17(22-12-23)19(24)18-5-2-8-25-18/h1-12H.
What are the key properties of [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone?
[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone has a molecular weight of 333.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 67429019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).