3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine

C25H23N5O — CID 140730853

IUPAC3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine
SMILESCN1C=CN(c2cccc(Oc3cccc(-c4ncc(-c5cccnc5)n4C)c3)c2)C1
InChIInChI=1S/C25H23N5O/c1-28-12-13-30(18-28)21-8-4-10-23(15-21)31-22-9-3-6-19(14-22)25-27-17-24(29(25)2)20-7-5-11-26-16-20/h3-17H,18H2,1-2H3
InChIKeyXMXYEIAISJHINX-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.12
Rot. Bonds5

About 3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine

3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine (PubChem CID 140730853) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine
PubChem CID140730853
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine
SMILESCN1C=CN(c2cccc(Oc3cccc(-c4ncc(-c5cccnc5)n4C)c3)c2)C1
InChIInChI=1S/C25H23N5O/c1-28-12-13-30(18-28)21-8-4-10-23(15-21)31-22-9-3-6-19(14-22)25-27-17-24(29(25)2)20-7-5-11-26-16-20/h3-17H,18H2,1-2H3
InChIKeyXMXYEIAISJHINX-UHFFFAOYSA-N
XLogP5.12
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine?
The IUPAC name of 3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine (CID 140730853) is 3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine?
The canonical SMILES for 3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine is CN1C=CN(c2cccc(Oc3cccc(-c4ncc(-c5cccnc5)n4C)c3)c2)C1.
What is the InChIKey of 3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine?
The InChIKey is XMXYEIAISJHINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-28-12-13-30(18-28)21-8-4-10-23(15-21)31-22-9-3-6-19(14-22)25-27-17-24(29(25)2)20-7-5-11-26-16-20/h3-17H,18H2,1-2H3.
What are the key properties of 3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine?
3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine has a molecular weight of 409.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine is sourced from PubChem (CID 140730853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).