1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole

C13H20N2 — CID 139835335

IUPAC1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole
SMILESCC1CCC2CC1(n1ccnc1)C2(C)C
InChIInChI=1S/C13H20N2/c1-10-4-5-11-8-13(10,12(11,2)3)15-7-6-14-9-15/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyXXEYTIVCAPBAAY-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.05
Rot. Bonds1

About 1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole

1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole (PubChem CID 139835335) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole.

Molecular Properties

Compound Name1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole
PubChem CID139835335
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole
SMILESCC1CCC2CC1(n1ccnc1)C2(C)C
InChIInChI=1S/C13H20N2/c1-10-4-5-11-8-13(10,12(11,2)3)15-7-6-14-9-15/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyXXEYTIVCAPBAAY-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole?
The IUPAC name of 1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole (CID 139835335) is 1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole.
What is the SMILES notation for 1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole?
The canonical SMILES for 1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole is CC1CCC2CC1(n1ccnc1)C2(C)C.
What is the InChIKey of 1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole?
The InChIKey is XXEYTIVCAPBAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-4-5-11-8-13(10,12(11,2)3)15-7-6-14-9-15/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole?
1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole has a molecular weight of 204.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole is sourced from PubChem (CID 139835335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).