4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile

C21H13ClN4 — CID 71022063

IUPAC4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2ncccc2C2=NC(c3cccc(Cl)c3)=NC2)cc1
InChIInChI=1S/C21H13ClN4/c22-17-4-1-3-16(11-17)21-25-13-19(26-21)18-5-2-10-24-20(18)15-8-6-14(12-23)7-9-15/h1-11H,13H2
InChIKeyWINAUIIAEJPRMJ-UHFFFAOYSA-N
MW356.82 g/mol
LogP4.52
Rot. Bonds3

About 4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile

4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile (PubChem CID 71022063) has the molecular formula C21H13ClN4 and a molecular weight of 356.82 g/mol. Its IUPAC name is 4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile
PubChem CID71022063
Molecular FormulaC21H13ClN4
Molecular Weight356.82 g/mol
Exact Mass356.08
IUPAC Name4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2ncccc2C2=NC(c3cccc(Cl)c3)=NC2)cc1
InChIInChI=1S/C21H13ClN4/c22-17-4-1-3-16(11-17)21-25-13-19(26-21)18-5-2-10-24-20(18)15-8-6-14(12-23)7-9-15/h1-11H,13H2
InChIKeyWINAUIIAEJPRMJ-UHFFFAOYSA-N
XLogP4.52
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[3-(3-chlorophenyl)-6H-1,2,4-oxadiazin-5-yl]-2-pyridinyl]benzonitrile
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3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile
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3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
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3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole
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4-(3-methoxy-2-pyridinyl)benzonitrile
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[3-(3-chlorophenyl)-2-pyridinyl]methanamine
CID 82106044
3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile
CID 71160830
4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile
CID 53349735
3-quinolin-8-ylbenzonitrile
CID 4189045
3-(2-cyclopropyl-3-pyridinyl)benzonitrile
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3-chloro-5-(3-chlorophenyl)-4-methylpyridine-2-carbonitrile
CID 162731695

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile (CID 71022063) is 4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile is N#Cc1ccc(-c2ncccc2C2=NC(c3cccc(Cl)c3)=NC2)cc1.
What is the InChIKey of 4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile?
The InChIKey is WINAUIIAEJPRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4/c22-17-4-1-3-16(11-17)21-25-13-19(26-21)18-5-2-10-24-20(18)15-8-6-14(12-23)7-9-15/h1-11H,13H2.
What are the key properties of 4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile?
4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile has a molecular weight of 356.82 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 71022063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).