[5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol

C25H30N6O2 — CID 19734419

IUPAC[5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(Cn2c(CC3CCN(CCNc4cccnn4)CC3)nc3ccccc32)o1
InChIInChI=1S/C25H30N6O2/c32-18-21-8-7-20(33-21)17-31-23-5-2-1-4-22(23)28-25(31)16-19-9-13-30(14-10-19)15-12-26-24-6-3-11-27-29-24/h1-8,11,19,32H,9-10,12-18H2,(H,26,29)
InChIKeyZHOUVVHRZQZKSD-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.33
Rot. Bonds9

About [5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol

[5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol (PubChem CID 19734419) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is [5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol
PubChem CID19734419
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name[5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(Cn2c(CC3CCN(CCNc4cccnn4)CC3)nc3ccccc32)o1
InChIInChI=1S/C25H30N6O2/c32-18-21-8-7-20(33-21)17-31-23-5-2-1-4-22(23)28-25(31)16-19-9-13-30(14-10-19)15-12-26-24-6-3-11-27-29-24/h1-8,11,19,32H,9-10,12-18H2,(H,26,29)
InChIKeyZHOUVVHRZQZKSD-UHFFFAOYSA-N
XLogP3.33
TPSA92.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[4-[[1-[[5-(hydroxymethyl)furan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethylamino]-1H-pyridazin-6-one
CID 54126675
[5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol
CID 22343500
N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine
CID 14013278
1-[(5-methylfuran-2-yl)methyl]-N-[1-[2-(pyrimidin-2-ylamino)ethyl]azepan-4-yl]benzimidazol-2-amine;oxalate
CID 19875923
2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 14518026
pentakis(N-[2-[4-[[1-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]piperidin-1-yl]ethyl]pyrimidin-2-amine);oxalic acid
CID 173361723
N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-oxo-2-thiophen-2-ylacetamide;oxalic acid
CID 14013266
3-[[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56708911
[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
CID 71649897
1-[(4-fluorophenyl)methyl]-2-[(1-prop-2-enylpiperidin-4-yl)methyl]benzimidazole;oxalic acid
CID 162331537
ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate
CID 14013012
bis(2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol);oxalic acid
CID 67895703

Frequently Asked Questions

What is the IUPAC name of [5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol (CID 19734419) is [5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol is OCc1ccc(Cn2c(CC3CCN(CCNc4cccnn4)CC3)nc3ccccc32)o1.
What is the InChIKey of [5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is ZHOUVVHRZQZKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-18-21-8-7-20(33-21)17-31-23-5-2-1-4-22(23)28-25(31)16-19-9-13-30(14-10-19)15-12-26-24-6-3-11-27-29-24/h1-8,11,19,32H,9-10,12-18H2,(H,26,29).
What are the key properties of [5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol?
[5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 446.56 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 19734419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).