3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine

C9H11N3O — CID 2796040

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine
SMILESc1cncc(OCC2=NCCN2)c1
InChIInChI=1S/C9H11N3O/c1-2-8(6-10-3-1)13-7-9-11-4-5-12-9/h1-3,6H,4-5,7H2,(H,11,12)
InChIKeySIBMSKLGEAPWFC-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.46
Rot. Bonds3

About 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine

3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine (PubChem CID 2796040) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine
PubChem CID2796040
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine
SMILESc1cncc(OCC2=NCCN2)c1
InChIInChI=1S/C9H11N3O/c1-2-8(6-10-3-1)13-7-9-11-4-5-12-9/h1-3,6H,4-5,7H2,(H,11,12)
InChIKeySIBMSKLGEAPWFC-UHFFFAOYSA-N
XLogP0.46
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine (CID 2796040) is 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine is c1cncc(OCC2=NCCN2)c1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine?
The InChIKey is SIBMSKLGEAPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-8(6-10-3-1)13-7-9-11-4-5-12-9/h1-3,6H,4-5,7H2,(H,11,12).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine?
3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine has a molecular weight of 177.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine is sourced from PubChem (CID 2796040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).