4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole

C11H19N3 — CID 117189652

IUPAC4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole
SMILESCc1cn(C(C)C)c(N2CCCC2)n1
InChIInChI=1S/C11H19N3/c1-9(2)14-8-10(3)12-11(14)13-6-4-5-7-13/h8-9H,4-7H2,1-3H3
InChIKeyUTCYYEOWJDTHSV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.37
Rot. Bonds2

About 4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole

4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole (PubChem CID 117189652) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole
PubChem CID117189652
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole
SMILESCc1cn(C(C)C)c(N2CCCC2)n1
InChIInChI=1S/C11H19N3/c1-9(2)14-8-10(3)12-11(14)13-6-4-5-7-13/h8-9H,4-7H2,1-3H3
InChIKeyUTCYYEOWJDTHSV-UHFFFAOYSA-N
XLogP2.37
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole?
The IUPAC name of 4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole (CID 117189652) is 4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole is Cc1cn(C(C)C)c(N2CCCC2)n1.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole?
The InChIKey is UTCYYEOWJDTHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)14-8-10(3)12-11(14)13-6-4-5-7-13/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole?
4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole has a molecular weight of 193.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole is sourced from PubChem (CID 117189652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).