4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine

C24H16ClN3O — CID 118707430

IUPAC4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine
SMILESClc1ccc(-c2ccc(-c3nccn3-c3ccc(-c4ccncc4)cc3)o2)cc1
InChIInChI=1S/C24H16ClN3O/c25-20-5-1-19(2-6-20)22-9-10-23(29-22)24-27-15-16-28(24)21-7-3-17(4-8-21)18-11-13-26-14-12-18/h1-16H
InChIKeyAJMLIFIYLIPWOM-UHFFFAOYSA-N
MW397.87 g/mol
LogP6.51
Rot. Bonds4

About 4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine

4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine (PubChem CID 118707430) has the molecular formula C24H16ClN3O and a molecular weight of 397.87 g/mol. Its IUPAC name is 4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine
PubChem CID118707430
Molecular FormulaC24H16ClN3O
Molecular Weight397.87 g/mol
Exact Mass397.10
IUPAC Name4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine
SMILESClc1ccc(-c2ccc(-c3nccn3-c3ccc(-c4ccncc4)cc3)o2)cc1
InChIInChI=1S/C24H16ClN3O/c25-20-5-1-19(2-6-20)22-9-10-23(29-22)24-27-15-16-28(24)21-7-3-17(4-8-21)18-11-13-26-14-12-18/h1-16H
InChIKeyAJMLIFIYLIPWOM-UHFFFAOYSA-N
XLogP6.51
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.87
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine?
The IUPAC name of 4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine (CID 118707430) is 4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine?
The canonical SMILES for 4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine is Clc1ccc(-c2ccc(-c3nccn3-c3ccc(-c4ccncc4)cc3)o2)cc1.
What is the InChIKey of 4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine?
The InChIKey is AJMLIFIYLIPWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O/c25-20-5-1-19(2-6-20)22-9-10-23(29-22)24-27-15-16-28(24)21-7-3-17(4-8-21)18-11-13-26-14-12-18/h1-16H.
What are the key properties of 4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine?
4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine has a molecular weight of 397.87 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine is sourced from PubChem (CID 118707430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).