2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine

C20H23N3O2 — CID 71547905

IUPAC2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine
SMILESCCC(c1ccc(-c2ccc(COCOC)cc2)cn1)n1ccnc1
InChIInChI=1S/C20H23N3O2/c1-3-20(23-11-10-21-14-23)19-9-8-18(12-22-19)17-6-4-16(5-7-17)13-25-15-24-2/h4-12,14,20H,3,13,15H2,1-2H3
InChIKeyIMIVZZYSHDNMIB-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.07
Rot. Bonds8

About 2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine

2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine (PubChem CID 71547905) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine
PubChem CID71547905
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine
SMILESCCC(c1ccc(-c2ccc(COCOC)cc2)cn1)n1ccnc1
InChIInChI=1S/C20H23N3O2/c1-3-20(23-11-10-21-14-23)19-9-8-18(12-22-19)17-6-4-16(5-7-17)13-25-15-24-2/h4-12,14,20H,3,13,15H2,1-2H3
InChIKeyIMIVZZYSHDNMIB-UHFFFAOYSA-N
XLogP4.07
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine?
The IUPAC name of 2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine (CID 71547905) is 2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine.
What is the SMILES notation for 2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine?
The canonical SMILES for 2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine is CCC(c1ccc(-c2ccc(COCOC)cc2)cn1)n1ccnc1.
What is the InChIKey of 2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine?
The InChIKey is IMIVZZYSHDNMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-20(23-11-10-21-14-23)19-9-8-18(12-22-19)17-6-4-16(5-7-17)13-25-15-24-2/h4-12,14,20H,3,13,15H2,1-2H3.
What are the key properties of 2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine?
2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine has a molecular weight of 337.42 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylpropyl)-5-[4-(methoxymethoxymethyl)phenyl]pyridine is sourced from PubChem (CID 71547905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).