[1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol

C15H19N3O — CID 126838535

IUPAC[1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1nccn1CCC1CCC1
InChIInChI=1S/C15H19N3O/c19-14(13-5-2-7-16-11-13)15-17-8-10-18(15)9-6-12-3-1-4-12/h2,5,7-8,10-12,14,19H,1,3-4,6,9H2
InChIKeyZFDQGPHQNSEKIT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds5

About [1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol

[1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol (PubChem CID 126838535) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol
PubChem CID126838535
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1nccn1CCC1CCC1
InChIInChI=1S/C15H19N3O/c19-14(13-5-2-7-16-11-13)15-17-8-10-18(15)9-6-12-3-1-4-12/h2,5,7-8,10-12,14,19H,1,3-4,6,9H2
InChIKeyZFDQGPHQNSEKIT-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol?
The IUPAC name of [1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol (CID 126838535) is [1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1nccn1CCC1CCC1.
What is the InChIKey of [1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol?
The InChIKey is ZFDQGPHQNSEKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-14(13-5-2-7-16-11-13)15-17-8-10-18(15)9-6-12-3-1-4-12/h2,5,7-8,10-12,14,19H,1,3-4,6,9H2.
What are the key properties of [1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol?
[1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol has a molecular weight of 257.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclobutylethyl)imidazol-2-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 126838535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).