1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole

C17H24N2 — CID 69224518

IUPAC1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole
SMILESc1cn(C2CC3CCC2C3)c(C2CC3CCC2C3)n1
InChIInChI=1S/C17H24N2/c1-3-13-7-11(1)9-15(13)17-18-5-6-19(17)16-10-12-2-4-14(16)8-12/h5-6,11-16H,1-4,7-10H2
InChIKeyMOQYMNRHUCTRAV-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.15
Rot. Bonds2

About 1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole

1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole (PubChem CID 69224518) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole.

Molecular Properties

Compound Name1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole
PubChem CID69224518
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole
SMILESc1cn(C2CC3CCC2C3)c(C2CC3CCC2C3)n1
InChIInChI=1S/C17H24N2/c1-3-13-7-11(1)9-15(13)17-18-5-6-19(17)16-10-12-2-4-14(16)8-12/h5-6,11-16H,1-4,7-10H2
InChIKeyMOQYMNRHUCTRAV-UHFFFAOYSA-N
XLogP4.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole?
The IUPAC name of 1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole (CID 69224518) is 1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole.
What is the SMILES notation for 1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole?
The canonical SMILES for 1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole is c1cn(C2CC3CCC2C3)c(C2CC3CCC2C3)n1.
What is the InChIKey of 1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole?
The InChIKey is MOQYMNRHUCTRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-13-7-11(1)9-15(13)17-18-5-6-19(17)16-10-12-2-4-14(16)8-12/h5-6,11-16H,1-4,7-10H2.
What are the key properties of 1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole?
1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole has a molecular weight of 256.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole is sourced from PubChem (CID 69224518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).