4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile

C15H11N5 — CID 118978663

IUPAC4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ncc(-n3ccnc3)cc2N)cc1
InChIInChI=1S/C15H11N5/c16-8-11-1-3-12(4-2-11)15-14(17)7-13(9-19-15)20-6-5-18-10-20/h1-7,9-10H,17H2
InChIKeyJSGOBWGFMYYLLI-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.39
Rot. Bonds2

About 4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile

4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile (PubChem CID 118978663) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile
PubChem CID118978663
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ncc(-n3ccnc3)cc2N)cc1
InChIInChI=1S/C15H11N5/c16-8-11-1-3-12(4-2-11)15-14(17)7-13(9-19-15)20-6-5-18-10-20/h1-7,9-10H,17H2
InChIKeyJSGOBWGFMYYLLI-UHFFFAOYSA-N
XLogP2.39
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile
CID 118978613
4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile
CID 118978698
3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide
CID 118978778
4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile
CID 75432846
4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile
CID 118978757
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
3-(3,4-dichlorophenyl)-5-imidazol-1-yl-2-methylpyridine;hydrochloride
CID 23445144
2-amino-4-(3,4-dihydroxyphenyl)-6-(4-imidazol-1-ylphenyl)pyridine-3-carbonitrile
CID 177295555
3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile
CID 118978665
6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile
CID 15049002
4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile
CID 114717129
3-(3-ethoxypropyl)-4-(4-imidazol-1-ylphenyl)benzonitrile
CID 118978635

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile?
The IUPAC name of 4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile (CID 118978663) is 4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile?
The canonical SMILES for 4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile is N#Cc1ccc(-c2ncc(-n3ccnc3)cc2N)cc1.
What is the InChIKey of 4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile?
The InChIKey is JSGOBWGFMYYLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-8-11-1-3-12(4-2-11)15-14(17)7-13(9-19-15)20-6-5-18-10-20/h1-7,9-10H,17H2.
What are the key properties of 4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile?
4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile has a molecular weight of 261.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 118978663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).