(E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol

C12H13N3O — CID 86747590

IUPAC(E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol
SMILESOC/C=C/c1cccc(Cc2ncc[nH]2)n1
InChIInChI=1S/C12H13N3O/c16-8-2-5-10-3-1-4-11(15-10)9-12-13-6-7-14-12/h1-7,16H,8-9H2,(H,13,14)/b5-2+
InChIKeyOZOBFIWQOHWJJA-GORDUTHDSA-N
MW215.26 g/mol
LogP1.40
Rot. Bonds4

About (E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol

(E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol (PubChem CID 86747590) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol
PubChem CID86747590
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol
SMILESOC/C=C/c1cccc(Cc2ncc[nH]2)n1
InChIInChI=1S/C12H13N3O/c16-8-2-5-10-3-1-4-11(15-10)9-12-13-6-7-14-12/h1-7,16H,8-9H2,(H,13,14)/b5-2+
InChIKeyOZOBFIWQOHWJJA-GORDUTHDSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol (CID 86747590) is (E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol is OC/C=C/c1cccc(Cc2ncc[nH]2)n1.
What is the InChIKey of (E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol?
The InChIKey is OZOBFIWQOHWJJA-GORDUTHDSA-N. The full InChI is InChI=1S/C12H13N3O/c16-8-2-5-10-3-1-4-11(15-10)9-12-13-6-7-14-12/h1-7,16H,8-9H2,(H,13,14)/b5-2+.
What are the key properties of (E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol?
(E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol has a molecular weight of 215.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(1H-imidazol-2-ylmethyl)-2-pyridinyl]prop-2-en-1-ol is sourced from PubChem (CID 86747590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).