3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile

C16H12N4 — CID 67515874

IUPAC3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(Cn3ccnc3)cn2)c1
InChIInChI=1S/C16H12N4/c17-9-13-2-1-3-15(8-13)16-5-4-14(10-19-16)11-20-7-6-18-12-20/h1-8,10,12H,11H2
InChIKeyFLZCOZXEATXACZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.87
Rot. Bonds3

About 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile

3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile (PubChem CID 67515874) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile
PubChem CID67515874
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(Cn3ccnc3)cn2)c1
InChIInChI=1S/C16H12N4/c17-9-13-2-1-3-15(8-13)16-5-4-14(10-19-16)11-20-7-6-18-12-20/h1-8,10,12H,11H2
InChIKeyFLZCOZXEATXACZ-UHFFFAOYSA-N
XLogP2.87
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile (CID 67515874) is 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile is N#Cc1cccc(-c2ccc(Cn3ccnc3)cn2)c1.
What is the InChIKey of 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile?
The InChIKey is FLZCOZXEATXACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-9-13-2-1-3-15(8-13)16-5-4-14(10-19-16)11-20-7-6-18-12-20/h1-8,10,12H,11H2.
What are the key properties of 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile?
3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile has a molecular weight of 260.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 67515874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).