5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole

C8H12ClN3 — CID 23064493

IUPAC5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole
SMILESCn1cnc(N2CCCC2)c1Cl
InChIInChI=1S/C8H12ClN3/c1-11-6-10-8(7(11)9)12-4-2-3-5-12/h6H,2-5H2,1H3
InChIKeyIEBFOWSVWGFUEO-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.67
Rot. Bonds1

About 5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole

5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole (PubChem CID 23064493) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole
PubChem CID23064493
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole
SMILESCn1cnc(N2CCCC2)c1Cl
InChIInChI=1S/C8H12ClN3/c1-11-6-10-8(7(11)9)12-4-2-3-5-12/h6H,2-5H2,1H3
InChIKeyIEBFOWSVWGFUEO-UHFFFAOYSA-N
XLogP1.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole?
The IUPAC name of 5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole (CID 23064493) is 5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole.
What is the SMILES notation for 5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole?
The canonical SMILES for 5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole is Cn1cnc(N2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole?
The InChIKey is IEBFOWSVWGFUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-11-6-10-8(7(11)9)12-4-2-3-5-12/h6H,2-5H2,1H3.
What are the key properties of 5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole?
5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole has a molecular weight of 185.66 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-4-pyrrolidin-1-ylimidazole is sourced from PubChem (CID 23064493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).