3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile

C21H14ClFN4 — CID 10199565

IUPAC3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NCC(c3ccc(F)cc3)(c3cccc(Cl)n3)N2)c1
InChIInChI=1S/C21H14ClFN4/c22-19-6-2-5-18(26-19)21(16-7-9-17(23)10-8-16)13-25-20(27-21)15-4-1-3-14(11-15)12-24/h1-11H,13H2,(H,25,27)
InChIKeyMZMUNIVAKJJSLR-UHFFFAOYSA-N
MW376.82 g/mol
LogP4.04
Rot. Bonds3

About 3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile

3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile (PubChem CID 10199565) has the molecular formula C21H14ClFN4 and a molecular weight of 376.82 g/mol. Its IUPAC name is 3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
PubChem CID10199565
Molecular FormulaC21H14ClFN4
Molecular Weight376.82 g/mol
Exact Mass376.09
IUPAC Name3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NCC(c3ccc(F)cc3)(c3cccc(Cl)n3)N2)c1
InChIInChI=1S/C21H14ClFN4/c22-19-6-2-5-18(26-19)21(16-7-9-17(23)10-8-16)13-25-20(27-21)15-4-1-3-14(11-15)12-24/h1-11H,13H2,(H,25,27)
InChIKeyMZMUNIVAKJJSLR-UHFFFAOYSA-N
XLogP4.04
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
CID 10222571
3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile
CID 10292354
3-[3-[4-[4-(1-adamantyl)phenyl]-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168807933
2-[5-(4-fluorocyclohepta-1,3-dien-5-yn-1-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile
CID 142081810
3-(2,6-difluorophenyl)benzonitrile
CID 83810039
3-fluorobenzonitrile;hydrochloride
CID 140590350
3-(3,5-difluoro-4-pyridinyl)benzonitrile
CID 142452389
ethane;3-fluorobenzonitrile
CID 143604554
3-(2,4-difluoro-3-pyridinyl)benzonitrile
CID 68537562
3-(6-chloropyrimidin-4-yl)benzonitrile
CID 19988636
3-(2-amino-4-fluorophenyl)benzonitrile
CID 107626378
5-[(4S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-3-carbonitrile
CID 69055617

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The IUPAC name of 3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile (CID 10199565) is 3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile is N#Cc1cccc(C2=NCC(c3ccc(F)cc3)(c3cccc(Cl)n3)N2)c1.
What is the InChIKey of 3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The InChIKey is MZMUNIVAKJJSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4/c22-19-6-2-5-18(26-19)21(16-7-9-17(23)10-8-16)13-25-20(27-21)15-4-1-3-14(11-15)12-24/h1-11H,13H2,(H,25,27).
What are the key properties of 3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile has a molecular weight of 376.82 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile is sourced from PubChem (CID 10199565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).