7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole

C9H17N3 — CID 167441211

IUPAC7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
SMILESCC(C)CN1CCN2CCN=C21
InChIInChI=1S/C9H17N3/c1-8(2)7-12-6-5-11-4-3-10-9(11)12/h8H,3-7H2,1-2H3
InChIKeyYDFZGURAOHNGRF-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.63
Rot. Bonds2

About 7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole

7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole (PubChem CID 167441211) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
PubChem CID167441211
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
SMILESCC(C)CN1CCN2CCN=C21
InChIInChI=1S/C9H17N3/c1-8(2)7-12-6-5-11-4-3-10-9(11)12/h8H,3-7H2,1-2H3
InChIKeyYDFZGURAOHNGRF-UHFFFAOYSA-N
XLogP0.63
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
The IUPAC name of 7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole (CID 167441211) is 7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole.
What is the SMILES notation for 7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
The canonical SMILES for 7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole is CC(C)CN1CCN2CCN=C21.
What is the InChIKey of 7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
The InChIKey is YDFZGURAOHNGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)7-12-6-5-11-4-3-10-9(11)12/h8H,3-7H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole has a molecular weight of 167.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole is sourced from PubChem (CID 167441211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).