4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine

C14H15N3O2 — CID 167086129

IUPAC4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine
SMILESCC1OC1c1cc(-n2ccnc2)cc(C2OC2C)n1
InChIInChI=1S/C14H15N3O2/c1-8-13(18-8)11-5-10(17-4-3-15-7-17)6-12(16-11)14-9(2)19-14/h3-9,13-14H,1-2H3
InChIKeyNOEMQETYQTTZSA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds3

About 4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine

4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine (PubChem CID 167086129) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine.

Molecular Properties

Compound Name4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine
PubChem CID167086129
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine
SMILESCC1OC1c1cc(-n2ccnc2)cc(C2OC2C)n1
InChIInChI=1S/C14H15N3O2/c1-8-13(18-8)11-5-10(17-4-3-15-7-17)6-12(16-11)14-9(2)19-14/h3-9,13-14H,1-2H3
InChIKeyNOEMQETYQTTZSA-UHFFFAOYSA-N
XLogP2.19
TPSA55.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine?
The IUPAC name of 4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine (CID 167086129) is 4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine.
What is the SMILES notation for 4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine?
The canonical SMILES for 4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine is CC1OC1c1cc(-n2ccnc2)cc(C2OC2C)n1.
What is the InChIKey of 4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine?
The InChIKey is NOEMQETYQTTZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-13(18-8)11-5-10(17-4-3-15-7-17)6-12(16-11)14-9(2)19-14/h3-9,13-14H,1-2H3.
What are the key properties of 4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine?
4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine has a molecular weight of 257.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine is sourced from PubChem (CID 167086129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).