4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile

C17H14N4O — CID 59385123

IUPAC4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile
SMILESCOCc1[nH]c(-c2ccc(C#N)cc2)nc1-c1cccnc1
InChIInChI=1S/C17H14N4O/c1-22-11-15-16(14-3-2-8-19-10-14)21-17(20-15)13-6-4-12(9-18)5-7-13/h2-8,10H,11H2,1H3,(H,20,21)
InChIKeyOHZJHYBNEYKGKH-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.16
Rot. Bonds4

About 4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile

4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile (PubChem CID 59385123) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile
PubChem CID59385123
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile
SMILESCOCc1[nH]c(-c2ccc(C#N)cc2)nc1-c1cccnc1
InChIInChI=1S/C17H14N4O/c1-22-11-15-16(14-3-2-8-19-10-14)21-17(20-15)13-6-4-12(9-18)5-7-13/h2-8,10H,11H2,1H3,(H,20,21)
InChIKeyOHZJHYBNEYKGKH-UHFFFAOYSA-N
XLogP3.16
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384984
4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile
CID 59384969
3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine
CID 59384918
2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219364
2-(3-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384747
5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole
CID 59385059
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 174519203
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
2-methylsulfanyl-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
CID 136795080
3-[5-(chloromethyl)-2-(3-fluorophenyl)-1H-imidazol-4-yl]pyridine;dihydrochloride
CID 67546965
4-(1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
CID 838912
3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine
CID 89046049

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile?
The IUPAC name of 4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile (CID 59385123) is 4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile?
The canonical SMILES for 4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile is COCc1[nH]c(-c2ccc(C#N)cc2)nc1-c1cccnc1.
What is the InChIKey of 4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile?
The InChIKey is OHZJHYBNEYKGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-22-11-15-16(14-3-2-8-19-10-14)21-17(20-15)13-6-4-12(9-18)5-7-13/h2-8,10H,11H2,1H3,(H,20,21).
What are the key properties of 4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile?
4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile has a molecular weight of 290.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile is sourced from PubChem (CID 59385123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).