4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile

C22H16N4O — CID 71571264

IUPAC4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile
SMILESCOc1ccccc1-c1ccncc1-n1cncc1-c1ccc(C#N)cc1
InChIInChI=1S/C22H16N4O/c1-27-22-5-3-2-4-19(22)18-10-11-24-14-21(18)26-15-25-13-20(26)17-8-6-16(12-23)7-9-17/h2-11,13-15H,1H3
InChIKeyJHXLUDRFTZPKCW-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.48
Rot. Bonds4

About 4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile

4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile (PubChem CID 71571264) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile
PubChem CID71571264
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile
SMILESCOc1ccccc1-c1ccncc1-n1cncc1-c1ccc(C#N)cc1
InChIInChI=1S/C22H16N4O/c1-27-22-5-3-2-4-19(22)18-10-11-24-14-21(18)26-15-25-13-20(26)17-8-6-16(12-23)7-9-17/h2-11,13-15H,1H3
InChIKeyJHXLUDRFTZPKCW-UHFFFAOYSA-N
XLogP4.48
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile?
The IUPAC name of 4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile (CID 71571264) is 4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile?
The canonical SMILES for 4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile is COc1ccccc1-c1ccncc1-n1cncc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile?
The InChIKey is JHXLUDRFTZPKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-27-22-5-3-2-4-19(22)18-10-11-24-14-21(18)26-15-25-13-20(26)17-8-6-16(12-23)7-9-17/h2-11,13-15H,1H3.
What are the key properties of 4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile?
4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile has a molecular weight of 352.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile is sourced from PubChem (CID 71571264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).