2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole

C10H12N2 — CID 165345939

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole
SMILESC1=C[C@H]2C[C@@H]1C[C@H]2c1ncc[nH]1
InChIInChI=1S/C10H12N2/c1-2-8-5-7(1)6-9(8)10-11-3-4-12-10/h1-4,7-9H,5-6H2,(H,11,12)/t7-,8+,9-/m1/s1
InChIKeyYMVIYYAXCHBUBX-HRDYMLBCSA-N
MW160.22 g/mol
LogP2.09
Rot. Bonds1

About 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole

2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole (PubChem CID 165345939) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole
PubChem CID165345939
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole
SMILESC1=C[C@H]2C[C@@H]1C[C@H]2c1ncc[nH]1
InChIInChI=1S/C10H12N2/c1-2-8-5-7(1)6-9(8)10-11-3-4-12-10/h1-4,7-9H,5-6H2,(H,11,12)/t7-,8+,9-/m1/s1
InChIKeyYMVIYYAXCHBUBX-HRDYMLBCSA-N
XLogP2.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole (CID 165345939) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole is C1=C[C@H]2C[C@@H]1C[C@H]2c1ncc[nH]1.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole?
The InChIKey is YMVIYYAXCHBUBX-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-8-5-7(1)6-9(8)10-11-3-4-12-10/h1-4,7-9H,5-6H2,(H,11,12)/t7-,8+,9-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole has a molecular weight of 160.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole is sourced from PubChem (CID 165345939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).