2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine

C13H15N3O — CID 155916058

IUPAC2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
SMILESc1ccc(-c2nccn2CC2CCCO2)nc1
InChIInChI=1S/C13H15N3O/c1-2-6-14-12(5-1)13-15-7-8-16(13)10-11-4-3-9-17-11/h1-2,5-8,11H,3-4,9-10H2
InChIKeyISCDCYRJOPGFGA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.12
Rot. Bonds3

About 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine

2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine (PubChem CID 155916058) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
PubChem CID155916058
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
SMILESc1ccc(-c2nccn2CC2CCCO2)nc1
InChIInChI=1S/C13H15N3O/c1-2-6-14-12(5-1)13-15-7-8-16(13)10-11-4-3-9-17-11/h1-2,5-8,11H,3-4,9-10H2
InChIKeyISCDCYRJOPGFGA-UHFFFAOYSA-N
XLogP2.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole
CID 82562308
2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262
4-(oxan-2-ylmethyl)-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
CID 55014299
5-(oxolan-2-yl)-3-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 70765799
1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563869
N-cyclopropyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560113
3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 11843028
5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one
CID 167930767
(4S,5R)-1-[[(2R)-oxolan-2-yl]methyl]-5-[1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125080293
1-(oxiran-2-ylmethyl)-2-phenylimidazole
CID 61071224
1-methyl-5-[1-(oxolan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133221376
N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560081

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine (CID 155916058) is 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine is c1ccc(-c2nccn2CC2CCCO2)nc1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine?
The InChIKey is ISCDCYRJOPGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-6-14-12(5-1)13-15-7-8-16(13)10-11-4-3-9-17-11/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine?
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine has a molecular weight of 229.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 155916058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).