[5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol

C18H22N4O2 — CID 46990863

IUPAC[5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN(CCCn2ccnc2)Cc2cccnc2)o1
InChIInChI=1S/C18H22N4O2/c23-14-18-5-4-17(24-18)13-22(12-16-3-1-6-19-11-16)9-2-8-21-10-7-20-15-21/h1,3-7,10-11,15,23H,2,8-9,12-14H2
InChIKeyFRHHPQZWUNHVJP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.46
Rot. Bonds9

About [5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol

[5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol (PubChem CID 46990863) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol
PubChem CID46990863
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN(CCCn2ccnc2)Cc2cccnc2)o1
InChIInChI=1S/C18H22N4O2/c23-14-18-5-4-17(24-18)13-22(12-16-3-1-6-19-11-16)9-2-8-21-10-7-20-15-21/h1,3-7,10-11,15,23H,2,8-9,12-14H2
InChIKeyFRHHPQZWUNHVJP-UHFFFAOYSA-N
XLogP2.46
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol (CID 46990863) is [5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol is OCc1ccc(CN(CCCn2ccnc2)Cc2cccnc2)o1.
What is the InChIKey of [5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol?
The InChIKey is FRHHPQZWUNHVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-14-18-5-4-17(24-18)13-22(12-16-3-1-6-19-11-16)9-2-8-21-10-7-20-15-21/h1,3-7,10-11,15,23H,2,8-9,12-14H2.
What are the key properties of [5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol?
[5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 326.40 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 46990863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).