2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine

C25H24N4O3 — CID 11683363

IUPAC2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine
SMILESc1ccc(-c2[nH]c(C3CCN(Cc4ccco4)CC3)nc2-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C25H24N4O3/c1-2-10-26-20(5-1)24-23(18-6-7-21-22(14-18)32-16-31-21)27-25(28-24)17-8-11-29(12-9-17)15-19-4-3-13-30-19/h1-7,10,13-14,17H,8-9,11-12,15-16H2,(H,27,28)
InChIKeyVONCCHSJBDBVLX-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.84
Rot. Bonds5

About 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine

2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine (PubChem CID 11683363) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine
PubChem CID11683363
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine
SMILESc1ccc(-c2[nH]c(C3CCN(Cc4ccco4)CC3)nc2-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C25H24N4O3/c1-2-10-26-20(5-1)24-23(18-6-7-21-22(14-18)32-16-31-21)27-25(28-24)17-8-11-29(12-9-17)15-19-4-3-13-30-19/h1-7,10,13-14,17H,8-9,11-12,15-16H2,(H,27,28)
InChIKeyVONCCHSJBDBVLX-UHFFFAOYSA-N
XLogP4.84
TPSA76.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine (CID 11683363) is 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine is c1ccc(-c2[nH]c(C3CCN(Cc4ccco4)CC3)nc2-c2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine?
The InChIKey is VONCCHSJBDBVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-10-26-20(5-1)24-23(18-6-7-21-22(14-18)32-16-31-21)27-25(28-24)17-8-11-29(12-9-17)15-19-4-3-13-30-19/h1-7,10,13-14,17H,8-9,11-12,15-16H2,(H,27,28).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine?
2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine has a molecular weight of 428.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 11683363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).