1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine

C22H23N5O4 — CID 146492547

IUPAC1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine
SMILESc1cn(-c2cc3c(cn2)ncn3-c2ccc(OCCOCC3COCCO3)cc2)cn1
InChIInChI=1S/C22H23N5O4/c1-3-18(30-9-7-28-13-19-14-29-8-10-31-19)4-2-17(1)27-16-25-20-12-24-22(11-21(20)27)26-6-5-23-15-26/h1-6,11-12,15-16,19H,7-10,13-14H2
InChIKeyHIYMBJHOHMTELR-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.42
Rot. Bonds8

About 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine

1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine (PubChem CID 146492547) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine
PubChem CID146492547
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine
SMILESc1cn(-c2cc3c(cn2)ncn3-c2ccc(OCCOCC3COCCO3)cc2)cn1
InChIInChI=1S/C22H23N5O4/c1-3-18(30-9-7-28-13-19-14-29-8-10-31-19)4-2-17(1)27-16-25-20-12-24-22(11-21(20)27)26-6-5-23-15-26/h1-6,11-12,15-16,19H,7-10,13-14H2
InChIKeyHIYMBJHOHMTELR-UHFFFAOYSA-N
XLogP2.42
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine (CID 146492547) is 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine is c1cn(-c2cc3c(cn2)ncn3-c2ccc(OCCOCC3COCCO3)cc2)cn1.
What is the InChIKey of 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine?
The InChIKey is HIYMBJHOHMTELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-3-18(30-9-7-28-13-19-14-29-8-10-31-19)4-2-17(1)27-16-25-20-12-24-22(11-21(20)27)26-6-5-23-15-26/h1-6,11-12,15-16,19H,7-10,13-14H2.
What are the key properties of 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine?
1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine has a molecular weight of 421.46 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]phenyl]-6-imidazol-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 146492547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).