2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile

C16H11ClN4 — CID 90406686

IUPAC2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile
SMILESCn1cnc(-c2cc(C#N)ccn2)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN4/c1-21-10-20-15(14-7-11(9-18)5-6-19-14)16(21)12-3-2-4-13(17)8-12/h2-8,10H,1H3
InChIKeyUXOZEQIRZKYHNE-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.67
Rot. Bonds2

About 2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile

2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile (PubChem CID 90406686) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile
PubChem CID90406686
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile
SMILESCn1cnc(-c2cc(C#N)ccn2)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN4/c1-21-10-20-15(14-7-11(9-18)5-6-19-14)16(21)12-3-2-4-13(17)8-12/h2-8,10H,1H3
InChIKeyUXOZEQIRZKYHNE-UHFFFAOYSA-N
XLogP3.67
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile
CID 90440547
2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile
CID 90407299
6-[5-(3-chlorophenyl)-3-methylimidazol-4-yl]-1,3-benzothiazole
CID 122510791
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
2-(3-methylphenyl)pyridine-4-carbonitrile
CID 102306874
2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
CID 162406878
2-pyren-2-ylpyridine-4-carbonitrile
CID 118397173
2-[3-[12-[3-(4-cyano-2-pyridinyl)phenyl]chrysen-6-yl]phenyl]pyridine-4-carbonitrile
CID 118398063
2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile
CID 118398062
4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile
CID 160905410
2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile
CID 117001817
3-[7-(3-chlorophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile
CID 11281470

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile (CID 90406686) is 2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile is Cn1cnc(-c2cc(C#N)ccn2)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile?
The InChIKey is UXOZEQIRZKYHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c1-21-10-20-15(14-7-11(9-18)5-6-19-14)16(21)12-3-2-4-13(17)8-12/h2-8,10H,1H3.
What are the key properties of 2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile?
2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile has a molecular weight of 294.75 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 90406686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).