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

C10H13BrN2 — CID 159126211

IUPAC2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole
SMILESBrc1cnc([C@H]2CC3CCC2C3)[nH]1
InChIInChI=1S/C10H13BrN2/c11-9-5-12-10(13-9)8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,12,13)/t6?,7?,8-/m0/s1
InChIKeyZFXSWIRAXAMURH-RRQHEKLDSA-N
MW241.13 g/mol
LogP3.08
Rot. Bonds1

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

2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole (PubChem CID 159126211) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole.

Molecular Properties

Compound Name2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole
PubChem CID159126211
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole
SMILESBrc1cnc([C@H]2CC3CCC2C3)[nH]1
InChIInChI=1S/C10H13BrN2/c11-9-5-12-10(13-9)8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,12,13)/t6?,7?,8-/m0/s1
InChIKeyZFXSWIRAXAMURH-RRQHEKLDSA-N
XLogP3.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole?
The IUPAC name of 2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole (CID 159126211) is 2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole.
What is the SMILES notation for 2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole?
The canonical SMILES for 2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole is Brc1cnc([C@H]2CC3CCC2C3)[nH]1.
What is the InChIKey of 2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole?
The InChIKey is ZFXSWIRAXAMURH-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-5-12-10(13-9)8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,12,13)/t6?,7?,8-/m0/s1.
What are the key properties of 2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole?
2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole has a molecular weight of 241.13 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole is sourced from PubChem (CID 159126211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).