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

C24H22ClN3O — CID 118707429

IUPAC2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine
SMILESClc1ccc(-c2ccc(-c3nccn3-c3ccc(C4CCCCN4)cc3)o2)cc1
InChIInChI=1S/C24H22ClN3O/c25-19-8-4-18(5-9-19)22-12-13-23(29-22)24-27-15-16-28(24)20-10-6-17(7-11-20)21-3-1-2-14-26-21/h4-13,15-16,21,26H,1-3,14H2
InChIKeyAYOKKAGQVOATKD-UHFFFAOYSA-N
MW403.91 g/mol
LogP6.27
Rot. Bonds4

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

2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine (PubChem CID 118707429) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine.

Molecular Properties

Compound Name2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine
PubChem CID118707429
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine
SMILESClc1ccc(-c2ccc(-c3nccn3-c3ccc(C4CCCCN4)cc3)o2)cc1
InChIInChI=1S/C24H22ClN3O/c25-19-8-4-18(5-9-19)22-12-13-23(29-22)24-27-15-16-28(24)20-10-6-17(7-11-20)21-3-1-2-14-26-21/h4-13,15-16,21,26H,1-3,14H2
InChIKeyAYOKKAGQVOATKD-UHFFFAOYSA-N
XLogP6.27
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine?
The IUPAC name of 2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine (CID 118707429) is 2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine.
What is the SMILES notation for 2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine?
The canonical SMILES for 2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine is Clc1ccc(-c2ccc(-c3nccn3-c3ccc(C4CCCCN4)cc3)o2)cc1.
What is the InChIKey of 2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine?
The InChIKey is AYOKKAGQVOATKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c25-19-8-4-18(5-9-19)22-12-13-23(29-22)24-27-15-16-28(24)20-10-6-17(7-11-20)21-3-1-2-14-26-21/h4-13,15-16,21,26H,1-3,14H2.
What are the key properties of 2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine?
2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine has a molecular weight of 403.91 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine is sourced from PubChem (CID 118707429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).