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

C13H15N3O2 — CID 155910990

IUPAC4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine
SMILESc1cc(-c2nccn2CC2COCCO2)ccn1
InChIInChI=1S/C13H15N3O2/c1-3-14-4-2-11(1)13-15-5-6-16(13)9-12-10-17-7-8-18-12/h1-6,12H,7-10H2
InChIKeyUQEGOMTZNOHDQW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.36
Rot. Bonds3

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

4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine (PubChem CID 155910990) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine
PubChem CID155910990
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine
SMILESc1cc(-c2nccn2CC2COCCO2)ccn1
InChIInChI=1S/C13H15N3O2/c1-3-14-4-2-11(1)13-15-5-6-16(13)9-12-10-17-7-8-18-12/h1-6,12H,7-10H2
InChIKeyUQEGOMTZNOHDQW-UHFFFAOYSA-N
XLogP1.36
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine?
The IUPAC name of 4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine (CID 155910990) is 4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine?
The canonical SMILES for 4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine is c1cc(-c2nccn2CC2COCCO2)ccn1.
What is the InChIKey of 4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine?
The InChIKey is UQEGOMTZNOHDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-14-4-2-11(1)13-15-5-6-16(13)9-12-10-17-7-8-18-12/h1-6,12H,7-10H2.
What are the key properties of 4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine?
4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine has a molecular weight of 245.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 155910990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).