2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine

C21H25N5 — CID 110255227

IUPAC2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine
SMILESCC(C)c1nccn1-c1nccnc1C1CCCN1Cc1ccccc1
InChIInChI=1S/C21H25N5/c1-16(2)20-24-12-14-26(20)21-19(22-10-11-23-21)18-9-6-13-25(18)15-17-7-4-3-5-8-17/h3-5,7-8,10-12,14,16,18H,6,9,13,15H2,1-2H3
InChIKeyVOXYOIKNUCFHLE-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.12
Rot. Bonds5

About 2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine

2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine (PubChem CID 110255227) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine
PubChem CID110255227
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine
SMILESCC(C)c1nccn1-c1nccnc1C1CCCN1Cc1ccccc1
InChIInChI=1S/C21H25N5/c1-16(2)20-24-12-14-26(20)21-19(22-10-11-23-21)18-9-6-13-25(18)15-17-7-4-3-5-8-17/h3-5,7-8,10-12,14,16,18H,6,9,13,15H2,1-2H3
InChIKeyVOXYOIKNUCFHLE-UHFFFAOYSA-N
XLogP4.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The IUPAC name of 2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine (CID 110255227) is 2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine.
What is the SMILES notation for 2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The canonical SMILES for 2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine is CC(C)c1nccn1-c1nccnc1C1CCCN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The InChIKey is VOXYOIKNUCFHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16(2)20-24-12-14-26(20)21-19(22-10-11-23-21)18-9-6-13-25(18)15-17-7-4-3-5-8-17/h3-5,7-8,10-12,14,16,18H,6,9,13,15H2,1-2H3.
What are the key properties of 2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine has a molecular weight of 347.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-2-yl)-3-(2-propan-2-ylimidazol-1-yl)pyrazine is sourced from PubChem (CID 110255227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).