3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole

C9H17N3 — CID 144634328

IUPAC3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole
SMILESCC1=CN(C)C(C2CCCN2)N1
InChIInChI=1S/C9H17N3/c1-7-6-12(2)9(11-7)8-4-3-5-10-8/h6,8-11H,3-5H2,1-2H3
InChIKeyACXLJEWABPDXCS-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.46
Rot. Bonds1

About 3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole

3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole (PubChem CID 144634328) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole
PubChem CID144634328
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole
SMILESCC1=CN(C)C(C2CCCN2)N1
InChIInChI=1S/C9H17N3/c1-7-6-12(2)9(11-7)8-4-3-5-10-8/h6,8-11H,3-5H2,1-2H3
InChIKeyACXLJEWABPDXCS-UHFFFAOYSA-N
XLogP0.46
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole?
The IUPAC name of 3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole (CID 144634328) is 3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole.
What is the SMILES notation for 3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole?
The canonical SMILES for 3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole is CC1=CN(C)C(C2CCCN2)N1.
What is the InChIKey of 3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole?
The InChIKey is ACXLJEWABPDXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7-6-12(2)9(11-7)8-4-3-5-10-8/h6,8-11H,3-5H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole?
3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole has a molecular weight of 167.26 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole is sourced from PubChem (CID 144634328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).