2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine

C24H24N4O — CID 50966391

IUPAC2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine
SMILESc1ccc(-c2ncn(C3CCN(Cc4ccccn4)CC3)c2-c2ccco2)cc1
InChIInChI=1S/C24H24N4O/c1-2-7-19(8-3-1)23-24(22-10-6-16-29-22)28(18-26-23)21-11-14-27(15-12-21)17-20-9-4-5-13-25-20/h1-10,13,16,18,21H,11-12,14-15,17H2
InChIKeyFTSDHGLEEJWQBI-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.04
Rot. Bonds5

About 2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine

2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 50966391) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine
PubChem CID50966391
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine
SMILESc1ccc(-c2ncn(C3CCN(Cc4ccccn4)CC3)c2-c2ccco2)cc1
InChIInChI=1S/C24H24N4O/c1-2-7-19(8-3-1)23-24(22-10-6-16-29-22)28(18-26-23)21-11-14-27(15-12-21)17-20-9-4-5-13-25-20/h1-10,13,16,18,21H,11-12,14-15,17H2
InChIKeyFTSDHGLEEJWQBI-UHFFFAOYSA-N
XLogP5.04
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine (CID 50966391) is 2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine is c1ccc(-c2ncn(C3CCN(Cc4ccccn4)CC3)c2-c2ccco2)cc1.
What is the InChIKey of 2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is FTSDHGLEEJWQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-2-7-19(8-3-1)23-24(22-10-6-16-29-22)28(18-26-23)21-11-14-27(15-12-21)17-20-9-4-5-13-25-20/h1-10,13,16,18,21H,11-12,14-15,17H2.
What are the key properties of 2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine?
2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 384.48 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 50966391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).