2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine

C21H24N4 — CID 72706471

IUPAC2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine
SMILESCn1cc(-c2ccccc2)nc1CCc1cccc(N2CCCC2)n1
InChIInChI=1S/C21H24N4/c1-24-16-19(17-8-3-2-4-9-17)23-20(24)13-12-18-10-7-11-21(22-18)25-14-5-6-15-25/h2-4,7-11,16H,5-6,12-15H2,1H3
InChIKeyFXZPXKLWRLYOAR-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.87
Rot. Bonds5

About 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine

2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine (PubChem CID 72706471) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine
PubChem CID72706471
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine
SMILESCn1cc(-c2ccccc2)nc1CCc1cccc(N2CCCC2)n1
InChIInChI=1S/C21H24N4/c1-24-16-19(17-8-3-2-4-9-17)23-20(24)13-12-18-10-7-11-21(22-18)25-14-5-6-15-25/h2-4,7-11,16H,5-6,12-15H2,1H3
InChIKeyFXZPXKLWRLYOAR-UHFFFAOYSA-N
XLogP3.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine (CID 72706471) is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine is Cn1cc(-c2ccccc2)nc1CCc1cccc(N2CCCC2)n1.
What is the InChIKey of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine?
The InChIKey is FXZPXKLWRLYOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-24-16-19(17-8-3-2-4-9-17)23-20(24)13-12-18-10-7-11-21(22-18)25-14-5-6-15-25/h2-4,7-11,16H,5-6,12-15H2,1H3.
What are the key properties of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine?
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine has a molecular weight of 332.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 72706471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).