[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan

C24H17FN4O2 — CID 159044430

IUPAC[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan
SMILESO=C(c1ccccn1)c1cn(-c2cccc(-c3ccncc3F)c2)cn1.c1ccoc1
InChIInChI=1S/C20H13FN4O.C4H4O/c21-17-11-22-9-7-16(17)14-4-3-5-15(10-14)25-12-19(24-13-25)20(26)18-6-1-2-8-23-18;1-2-4-5-3-1/h1-13H;1-4H
InChIKeyJWLYPIKVDLRNSD-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.98
Rot. Bonds4

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

[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan (PubChem CID 159044430) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan.

Molecular Properties

Compound Name[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan
PubChem CID159044430
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC Name[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan
SMILESO=C(c1ccccn1)c1cn(-c2cccc(-c3ccncc3F)c2)cn1.c1ccoc1
InChIInChI=1S/C20H13FN4O.C4H4O/c21-17-11-22-9-7-16(17)14-4-3-5-15(10-14)25-12-19(24-13-25)20(26)18-6-1-2-8-23-18;1-2-4-5-3-1/h1-13H;1-4H
InChIKeyJWLYPIKVDLRNSD-UHFFFAOYSA-N
XLogP4.98
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone
CID 67429019
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-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile
CID 67430776
1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
CID 67430373
(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone
CID 67429654
2-bromopyrimidine;[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone
CID 87396393
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
CID 67430473
[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone
CID 16679206
1-bromo-4-fluorobenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(3-fluorophenyl)methanone
CID 67429012
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(3-methoxyphenyl)methanone
CID 67428511
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan?
The IUPAC name of [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan (CID 159044430) is [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan.
What is the SMILES notation for [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan?
The canonical SMILES for [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan is O=C(c1ccccn1)c1cn(-c2cccc(-c3ccncc3F)c2)cn1.c1ccoc1.
What is the InChIKey of [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan?
The InChIKey is JWLYPIKVDLRNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O.C4H4O/c21-17-11-22-9-7-16(17)14-4-3-5-15(10-14)25-12-19(24-13-25)20(26)18-6-1-2-8-23-18;1-2-4-5-3-1/h1-13H;1-4H.
What are the key properties of [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan?
[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan has a molecular weight of 412.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan is sourced from PubChem (CID 159044430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).