pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol

C18H23N3O — CID 136559105

IUPACpyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol
SMILESOC(c1cccnc1)c1nccn1CC1CCC2(CC1)CC2
InChIInChI=1S/C18H23N3O/c22-16(15-2-1-9-19-12-15)17-20-10-11-21(17)13-14-3-5-18(6-4-14)7-8-18/h1-2,9-12,14,16,22H,3-8,13H2
InChIKeyCWEZOLVYXTZVLR-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.33
Rot. Bonds4

About pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol

pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol (PubChem CID 136559105) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Namepyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol
PubChem CID136559105
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Namepyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol
SMILESOC(c1cccnc1)c1nccn1CC1CCC2(CC1)CC2
InChIInChI=1S/C18H23N3O/c22-16(15-2-1-9-19-12-15)17-20-10-11-21(17)13-14-3-5-18(6-4-14)7-8-18/h1-2,9-12,14,16,22H,3-8,13H2
InChIKeyCWEZOLVYXTZVLR-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol?
The IUPAC name of pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol (CID 136559105) is pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol.
What is the SMILES notation for pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol?
The canonical SMILES for pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol is OC(c1cccnc1)c1nccn1CC1CCC2(CC1)CC2.
What is the InChIKey of pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol?
The InChIKey is CWEZOLVYXTZVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-16(15-2-1-9-19-12-15)17-20-10-11-21(17)13-14-3-5-18(6-4-14)7-8-18/h1-2,9-12,14,16,22H,3-8,13H2.
What are the key properties of pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol?
pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol has a molecular weight of 297.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[1-(spiro[2.5]octan-6-ylmethyl)imidazol-2-yl]methanol is sourced from PubChem (CID 136559105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).