2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile

C23H20N4 — CID 67943643

IUPAC2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
SMILESCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C23H20N4/c1-2-6-22-26-21-9-5-14-25-23(21)27(22)16-17-10-12-18(13-11-17)20-8-4-3-7-19(20)15-24/h3-5,7-14H,2,6,16H2,1H3
InChIKeyUKICHRIXALLYJO-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.97
Rot. Bonds5

About 2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile

2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile (PubChem CID 67943643) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
PubChem CID67943643
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
SMILESCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C23H20N4/c1-2-6-22-26-21-9-5-14-25-23(21)27(22)16-17-10-12-18(13-11-17)20-8-4-3-7-19(20)15-24/h3-5,7-14H,2,6,16H2,1H3
InChIKeyUKICHRIXALLYJO-UHFFFAOYSA-N
XLogP4.97
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943935
2-[4-[[5-(4-hydroxyphenyl)-6-methyl-4-oxo-2-propylpyrimidin-1-yl]methyl]phenyl]benzonitrile
CID 68879186
2-[4-[[2-butyl-7-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]benzonitrile
CID 19792172
2-[4-[(4-hydroxy-6,6-dimethyl-2-propyl-4H-furo[3,4-d]imidazol-3-yl)methyl]phenyl]benzonitrile
CID 155906465
[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol
CID 10852829
3-[[4-(1,1-difluoroethoxy)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
CID 145133101
2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10385241
2-[4-[(5-cyclopropyl-4-ethyl-6-oxo-2-propylpyrimidin-1-yl)methyl]phenyl]benzonitrile
CID 57460071
2-[4-[[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]benzonitrile
CID 10348085
1-[4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-chloropyrrole-2-carbonitrile
CID 19759228
2-[4-[(2-butyl-6-nitrobenzimidazol-1-yl)methyl]phenyl]benzonitrile
CID 10476679
2-[4-[[5-(4-methoxyphenoxy)-6-methyl-4-oxo-2-propylpyrimidin-1-yl]methyl]phenyl]benzonitrile
CID 68878457

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile (CID 67943643) is 2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile is CCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile?
The InChIKey is UKICHRIXALLYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-2-6-22-26-21-9-5-14-25-23(21)27(22)16-17-10-12-18(13-11-17)20-8-4-3-7-19(20)15-24/h3-5,7-14H,2,6,16H2,1H3.
What are the key properties of 2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile?
2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile has a molecular weight of 352.44 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 67943643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).