4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile

C24H19N3O — CID 70342847

IUPAC4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile
SMILESCc1ccccc1-c1ccc(C(Oc2ccc(C#N)cc2)c2cnc[nH]2)cc1
InChIInChI=1S/C24H19N3O/c1-17-4-2-3-5-22(17)19-8-10-20(11-9-19)24(23-15-26-16-27-23)28-21-12-6-18(14-25)7-13-21/h2-13,15-16,24H,1H3,(H,26,27)
InChIKeyKAOSMWIYDAPFTE-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.43
Rot. Bonds5

About 4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile

4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile (PubChem CID 70342847) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile
PubChem CID70342847
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile
SMILESCc1ccccc1-c1ccc(C(Oc2ccc(C#N)cc2)c2cnc[nH]2)cc1
InChIInChI=1S/C24H19N3O/c1-17-4-2-3-5-22(17)19-8-10-20(11-9-19)24(23-15-26-16-27-23)28-21-12-6-18(14-25)7-13-21/h2-13,15-16,24H,1H3,(H,26,27)
InChIKeyKAOSMWIYDAPFTE-UHFFFAOYSA-N
XLogP5.43
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile?
The IUPAC name of 4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile (CID 70342847) is 4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile.
What is the SMILES notation for 4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile?
The canonical SMILES for 4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile is Cc1ccccc1-c1ccc(C(Oc2ccc(C#N)cc2)c2cnc[nH]2)cc1.
What is the InChIKey of 4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile?
The InChIKey is KAOSMWIYDAPFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-17-4-2-3-5-22(17)19-8-10-20(11-9-19)24(23-15-26-16-27-23)28-21-12-6-18(14-25)7-13-21/h2-13,15-16,24H,1H3,(H,26,27).
What are the key properties of 4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile?
4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile has a molecular weight of 365.44 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1H-imidazol-5-yl-[4-(2-methylphenyl)phenyl]methoxy]benzonitrile is sourced from PubChem (CID 70342847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).