4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine

C14H17N3O — CID 155912859

IUPAC4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
SMILESc1cc(-c2nccn2CC2CCOCC2)ccn1
InChIInChI=1S/C14H17N3O/c1-5-15-6-2-13(1)14-16-7-8-17(14)11-12-3-9-18-10-4-12/h1-2,5-8,12H,3-4,9-11H2
InChIKeyBFPIDFXJFWHEIJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds3

About 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine

4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine (PubChem CID 155912859) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
PubChem CID155912859
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
SMILESc1cc(-c2nccn2CC2CCOCC2)ccn1
InChIInChI=1S/C14H17N3O/c1-5-15-6-2-13(1)14-16-7-8-17(14)11-12-3-9-18-10-4-12/h1-2,5-8,12H,3-4,9-11H2
InChIKeyBFPIDFXJFWHEIJ-UHFFFAOYSA-N
XLogP2.37
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
CID 67317412
4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155910990
4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
CID 65458282
2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole
CID 155912420
1-(oxan-4-ylmethyl)pyrazin-2-one
CID 130538359
N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine
CID 63098127
1-(oxiran-2-ylmethyl)-2-phenylimidazole
CID 61071224
3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 90494491
1-(oxan-4-ylmethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645086
1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
CID 115917906
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine?
The IUPAC name of 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine (CID 155912859) is 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine?
The canonical SMILES for 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine is c1cc(-c2nccn2CC2CCOCC2)ccn1.
What is the InChIKey of 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine?
The InChIKey is BFPIDFXJFWHEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-5-15-6-2-13(1)14-16-7-8-17(14)11-12-3-9-18-10-4-12/h1-2,5-8,12H,3-4,9-11H2.
What are the key properties of 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine?
4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine has a molecular weight of 243.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 155912859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).