2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile

C19H18N4O — CID 90456983

IUPAC2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile
SMILESCCOc1ccccc1CCc1ncc(-c2cc(C#N)ccn2)[nH]1
InChIInChI=1S/C19H18N4O/c1-2-24-18-6-4-3-5-15(18)7-8-19-22-13-17(23-19)16-11-14(12-20)9-10-21-16/h3-6,9-11,13H,2,7-8H2,1H3,(H,22,23)
InChIKeyVQRFZOPOXAXDEX-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.53
Rot. Bonds6

About 2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile

2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile (PubChem CID 90456983) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile
PubChem CID90456983
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile
SMILESCCOc1ccccc1CCc1ncc(-c2cc(C#N)ccn2)[nH]1
InChIInChI=1S/C19H18N4O/c1-2-24-18-6-4-3-5-15(18)7-8-19-22-13-17(23-19)16-11-14(12-20)9-10-21-16/h3-6,9-11,13H,2,7-8H2,1H3,(H,22,23)
InChIKeyVQRFZOPOXAXDEX-UHFFFAOYSA-N
XLogP3.53
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile (CID 90456983) is 2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile is CCOc1ccccc1CCc1ncc(-c2cc(C#N)ccn2)[nH]1.
What is the InChIKey of 2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile?
The InChIKey is VQRFZOPOXAXDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-2-24-18-6-4-3-5-15(18)7-8-19-22-13-17(23-19)16-11-14(12-20)9-10-21-16/h3-6,9-11,13H,2,7-8H2,1H3,(H,22,23).
What are the key properties of 2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile?
2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxyphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 90456983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).