2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile

C16H12N4 — CID 90440547

IUPAC2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile
SMILESCn1cnc(-c2cc(C#N)ccn2)c1-c1ccccc1
InChIInChI=1S/C16H12N4/c1-20-11-19-15(14-9-12(10-17)7-8-18-14)16(20)13-5-3-2-4-6-13/h2-9,11H,1H3
InChIKeyRFKYHMAXHXQSBV-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.02
Rot. Bonds2

About 2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile

2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile (PubChem CID 90440547) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile
PubChem CID90440547
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile
SMILESCn1cnc(-c2cc(C#N)ccn2)c1-c1ccccc1
InChIInChI=1S/C16H12N4/c1-20-11-19-15(14-9-12(10-17)7-8-18-14)16(20)13-5-3-2-4-6-13/h2-9,11H,1H3
InChIKeyRFKYHMAXHXQSBV-UHFFFAOYSA-N
XLogP3.02
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile (CID 90440547) is 2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile is Cn1cnc(-c2cc(C#N)ccn2)c1-c1ccccc1.
What is the InChIKey of 2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile?
The InChIKey is RFKYHMAXHXQSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-20-11-19-15(14-9-12(10-17)7-8-18-14)16(20)13-5-3-2-4-6-13/h2-9,11H,1H3.
What are the key properties of 2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile?
2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 90440547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).