2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine

C20H22N4O — CID 50962901

IUPAC2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine
SMILESCCOc1ccc(-c2c(-c3ccccc3)ncn2C2CCNC2)cn1
InChIInChI=1S/C20H22N4O/c1-2-25-18-9-8-16(12-22-18)20-19(15-6-4-3-5-7-15)23-14-24(20)17-10-11-21-13-17/h3-9,12,14,17,21H,2,10-11,13H2,1H3
InChIKeyQDQKHPWTRMZYIX-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.55
Rot. Bonds5

About 2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine

2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine (PubChem CID 50962901) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine
PubChem CID50962901
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine
SMILESCCOc1ccc(-c2c(-c3ccccc3)ncn2C2CCNC2)cn1
InChIInChI=1S/C20H22N4O/c1-2-25-18-9-8-16(12-22-18)20-19(15-6-4-3-5-7-15)23-14-24(20)17-10-11-21-13-17/h3-9,12,14,17,21H,2,10-11,13H2,1H3
InChIKeyQDQKHPWTRMZYIX-UHFFFAOYSA-N
XLogP3.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine?
The IUPAC name of 2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine (CID 50962901) is 2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine.
What is the SMILES notation for 2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine?
The canonical SMILES for 2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine is CCOc1ccc(-c2c(-c3ccccc3)ncn2C2CCNC2)cn1.
What is the InChIKey of 2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine?
The InChIKey is QDQKHPWTRMZYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-25-18-9-8-16(12-22-18)20-19(15-6-4-3-5-7-15)23-14-24(20)17-10-11-21-13-17/h3-9,12,14,17,21H,2,10-11,13H2,1H3.
What are the key properties of 2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine?
2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine has a molecular weight of 334.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyridine is sourced from PubChem (CID 50962901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).