3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine

C24H16ClN3O — CID 118708080

IUPAC3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine
SMILESClc1ccc(-c2ccc(-c3nccn3-c3ccc(-c4cccnc4)cc3)o2)cc1
InChIInChI=1S/C24H16ClN3O/c25-20-7-3-18(4-8-20)22-11-12-23(29-22)24-27-14-15-28(24)21-9-5-17(6-10-21)19-2-1-13-26-16-19/h1-16H
InChIKeyOSKPTBJTSBEKJH-UHFFFAOYSA-N
MW397.87 g/mol
LogP6.51
Rot. Bonds4

About 3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine

3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine (PubChem CID 118708080) has the molecular formula C24H16ClN3O and a molecular weight of 397.87 g/mol. Its IUPAC name is 3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine
PubChem CID118708080
Molecular FormulaC24H16ClN3O
Molecular Weight397.87 g/mol
Exact Mass397.10
IUPAC Name3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine
SMILESClc1ccc(-c2ccc(-c3nccn3-c3ccc(-c4cccnc4)cc3)o2)cc1
InChIInChI=1S/C24H16ClN3O/c25-20-7-3-18(4-8-20)22-11-12-23(29-22)24-27-14-15-28(24)21-9-5-17(6-10-21)19-2-1-13-26-16-19/h1-16H
InChIKeyOSKPTBJTSBEKJH-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 3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine (CID 118708080) is 3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine is Clc1ccc(-c2ccc(-c3nccn3-c3ccc(-c4cccnc4)cc3)o2)cc1.
What is the InChIKey of 3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine?
The InChIKey is OSKPTBJTSBEKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O/c25-20-7-3-18(4-8-20)22-11-12-23(29-22)24-27-14-15-28(24)21-9-5-17(6-10-21)19-2-1-13-26-16-19/h1-16H.
What are the key properties of 3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine?
3-[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 3-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]pyridine is sourced from PubChem (CID 118708080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).