2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile

C23H13FN4O — CID 10199763

IUPAC2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cnc3nc(-c4ccoc4)ccn23)ccc1F
InChIInChI=1S/C23H13FN4O/c24-20-6-5-15(11-19(20)18-4-2-1-3-16(18)12-25)22-13-26-23-27-21(7-9-28(22)23)17-8-10-29-14-17/h1-11,13-14H
InChIKeyKXISMKHPUSDPHX-UHFFFAOYSA-N
MW380.38 g/mol
LogP5.33
Rot. Bonds3

About 2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile

2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (PubChem CID 10199763) has the molecular formula C23H13FN4O and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
PubChem CID10199763
Molecular FormulaC23H13FN4O
Molecular Weight380.38 g/mol
Exact Mass380.11
IUPAC Name2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cnc3nc(-c4ccoc4)ccn23)ccc1F
InChIInChI=1S/C23H13FN4O/c24-20-6-5-15(11-19(20)18-4-2-1-3-16(18)12-25)22-13-26-23-27-21(7-9-28(22)23)17-8-10-29-14-17/h1-11,13-14H
InChIKeyKXISMKHPUSDPHX-UHFFFAOYSA-N
XLogP5.33
TPSA67.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile
CID 10292218
4-fluoro-2-[2-fluoro-5-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10271677
2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 18001301
2-[2,6-difluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10294391
3-[4-fluoro-3-(2-methylsulfonylphenyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10160106
2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile
CID 10136133
3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10133066
3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10199517
7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine
CID 10269530
5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile
CID 57247188
3-[5-(2,6-diphenylpyrimidin-4-yl)-2-fluorophenyl]-4-fluorobenzonitrile
CID 138515632
5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one
CID 10177390

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The IUPAC name of 2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (CID 10199763) is 2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2cnc3nc(-c4ccoc4)ccn23)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The InChIKey is KXISMKHPUSDPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13FN4O/c24-20-6-5-15(11-19(20)18-4-2-1-3-16(18)12-25)22-13-26-23-27-21(7-9-28(22)23)17-8-10-29-14-17/h1-11,13-14H.
What are the key properties of 2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile has a molecular weight of 380.38 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 10199763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).