4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile

C22H12F2N4O2 — CID 18414569

IUPAC4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc4c(c3)OC(F)(F)O4)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C22H12F2N4O2/c23-22(24)29-17-9-8-15(11-18(17)30-22)19-20(16-3-1-2-10-26-16)28-21(27-19)14-6-4-13(12-25)5-7-14/h1-11H,(H,27,28)
InChIKeyPUDCNEDGVIGEGO-UHFFFAOYSA-N
MW402.36 g/mol
LogP5.00
Rot. Bonds3

About 4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile

4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile (PubChem CID 18414569) has the molecular formula C22H12F2N4O2 and a molecular weight of 402.36 g/mol. Its IUPAC name is 4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile
PubChem CID18414569
Molecular FormulaC22H12F2N4O2
Molecular Weight402.36 g/mol
Exact Mass402.09
IUPAC Name4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc4c(c3)OC(F)(F)O4)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C22H12F2N4O2/c23-22(24)29-17-9-8-15(11-18(17)30-22)19-20(16-3-1-2-10-26-16)28-21(27-19)14-6-4-13(12-25)5-7-14/h1-11H,(H,27,28)
InChIKeyPUDCNEDGVIGEGO-UHFFFAOYSA-N
XLogP5.00
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenyl)-4-pyridin-2-yl-1H-imidazol-5-yl]pyridine
CID 11099647
4-(1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
CID 838912
4-[[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yltriazol-2-yl]methyl]benzonitrile
CID 142669585
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
4-(1H-imidazo[4,5-g]quinolin-2-yl)benzonitrile
CID 127044220
4-[3-[4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]quinoxalin-2-yl]benzonitrile
CID 153354917
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654074
2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine
CID 141079478
3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine
CID 66591071
4-[4-[2,6-bis(4-pyridin-2-ylphenyl)pyrimidin-4-yl]fluoranthen-3-yl]benzonitrile
CID 165376421
6-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,2,4-triazine-3,5-diamine
CID 58103115
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile?
The IUPAC name of 4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile (CID 18414569) is 4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile?
The canonical SMILES for 4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3ccc4c(c3)OC(F)(F)O4)c(-c3ccccn3)[nH]2)cc1.
What is the InChIKey of 4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile?
The InChIKey is PUDCNEDGVIGEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F2N4O2/c23-22(24)29-17-9-8-15(11-18(17)30-22)19-20(16-3-1-2-10-26-16)28-21(27-19)14-6-4-13(12-25)5-7-14/h1-11H,(H,27,28).
What are the key properties of 4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile?
4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile has a molecular weight of 402.36 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzonitrile is sourced from PubChem (CID 18414569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).