5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole

C10H14N2 — CID 123594255

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole
SMILESc1ncc(C2CC3CCC2C3)[nH]1
InChIInChI=1S/C10H14N2/c1-2-8-3-7(1)4-9(8)10-5-11-6-12-10/h5-9H,1-4H2,(H,11,12)
InChIKeyRDDSSNIRCXUVOW-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.31
Rot. Bonds1

About 5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole

5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole (PubChem CID 123594255) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole
PubChem CID123594255
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole
SMILESc1ncc(C2CC3CCC2C3)[nH]1
InChIInChI=1S/C10H14N2/c1-2-8-3-7(1)4-9(8)10-5-11-6-12-10/h5-9H,1-4H2,(H,11,12)
InChIKeyRDDSSNIRCXUVOW-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole (CID 123594255) is 5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole is c1ncc(C2CC3CCC2C3)[nH]1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole?
The InChIKey is RDDSSNIRCXUVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-8-3-7(1)4-9(8)10-5-11-6-12-10/h5-9H,1-4H2,(H,11,12).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole?
5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole has a molecular weight of 162.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-1H-imidazole is sourced from PubChem (CID 123594255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).