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

C20H13FN4 — CID 18001301

IUPAC2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cnc3nc(CF)ccn23)c1
InChIInChI=1S/C20H13FN4/c21-11-17-8-9-25-19(13-23-20(25)24-17)15-6-3-5-14(10-15)18-7-2-1-4-16(18)12-22/h1-10,13H,11H2
InChIKeyZGYPSRZEYWNCJY-UHFFFAOYSA-N
MW328.35 g/mol
LogP4.40
Rot. Bonds3

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

2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (PubChem CID 18001301) has the molecular formula C20H13FN4 and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
PubChem CID18001301
Molecular FormulaC20H13FN4
Molecular Weight328.35 g/mol
Exact Mass328.11
IUPAC Name2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cnc3nc(CF)ccn23)c1
InChIInChI=1S/C20H13FN4/c21-11-17-8-9-25-19(13-23-20(25)24-17)15-6-3-5-14(10-15)18-7-2-1-4-16(18)12-22/h1-10,13H,11H2
InChIKeyZGYPSRZEYWNCJY-UHFFFAOYSA-N
XLogP4.40
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile
CID 10292218
2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10199763
2-[2,6-difluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10294391
2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile
CID 90976447
4-fluoro-2-[2-fluoro-5-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10271677
2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 168837004
2-(2-aminoquinazolin-7-yl)benzonitrile
CID 166358266
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]benzonitrile
CID 170215378
2-[3-(2-trityltetrazol-5-yl)phenyl]benzonitrile
CID 139686025
2-[6-phenyl-2-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]benzonitrile
CID 168836971
2-(2,6-diamino-4-pyridinyl)benzonitrile
CID 22629705
8-[3-(8-cyanodibenzofuran-2-yl)-5-[3-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile
CID 146354560

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The IUPAC name of 2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (CID 18001301) is 2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1cccc(-c2cnc3nc(CF)ccn23)c1.
What is the InChIKey of 2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The InChIKey is ZGYPSRZEYWNCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4/c21-11-17-8-9-25-19(13-23-20(25)24-17)15-6-3-5-14(10-15)18-7-2-1-4-16(18)12-22/h1-10,13H,11H2.
What are the key properties of 2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile has a molecular weight of 328.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 18001301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).