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

C15H10N4 — CID 118978613

IUPAC4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3ccnc3)cn2)cc1
InChIInChI=1S/C15H10N4/c16-9-12-1-3-13(4-2-12)15-6-5-14(10-18-15)19-8-7-17-11-19/h1-8,10-11H
InChIKeyHPJOUZAMYFTGHF-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.81
Rot. Bonds2

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

4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile (PubChem CID 118978613) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile
PubChem CID118978613
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3ccnc3)cn2)cc1
InChIInChI=1S/C15H10N4/c16-9-12-1-3-13(4-2-12)15-6-5-14(10-18-15)19-8-7-17-11-19/h1-8,10-11H
InChIKeyHPJOUZAMYFTGHF-UHFFFAOYSA-N
XLogP2.81
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile
CID 118978663
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
6-(4-cyanophenyl)-N-imidazol-1-ylpyridine-3-carboxamide
CID 174726187
4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile
CID 118978698
2-bromo-5-imidazol-1-ylpyridine
CID 66521352
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
5-[6-(4-cyanophenyl)-3-pyridinyl]pyrazine-2-carbonitrile
CID 67751358
3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide
CID 118978778
4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile
CID 19842018
4-(5-cyclopropyl-2-pyridinyl)benzonitrile
CID 138566548

Frequently Asked Questions

What is the IUPAC name of 4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile?
The IUPAC name of 4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile (CID 118978613) is 4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile?
The canonical SMILES for 4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile is N#Cc1ccc(-c2ccc(-n3ccnc3)cn2)cc1.
What is the InChIKey of 4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile?
The InChIKey is HPJOUZAMYFTGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c16-9-12-1-3-13(4-2-12)15-6-5-14(10-18-15)19-8-7-17-11-19/h1-8,10-11H.
What are the key properties of 4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile?
4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile has a molecular weight of 246.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 118978613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).