1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole

C11H14N2 — CID 12899697

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole
SMILESC1=CC2CC1CC2Cn1ccnc1
InChIInChI=1S/C11H14N2/c1-2-10-5-9(1)6-11(10)7-13-4-3-12-8-13/h1-4,8-11H,5-7H2
InChIKeySMVDINZSSSQDRF-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.10
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole (PubChem CID 12899697) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole
PubChem CID12899697
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole
SMILESC1=CC2CC1CC2Cn1ccnc1
InChIInChI=1S/C11H14N2/c1-2-10-5-9(1)6-11(10)7-13-4-3-12-8-13/h1-4,8-11H,5-7H2
InChIKeySMVDINZSSSQDRF-UHFFFAOYSA-N
XLogP2.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole (CID 12899697) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole is C1=CC2CC1CC2Cn1ccnc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole?
The InChIKey is SMVDINZSSSQDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-10-5-9(1)6-11(10)7-13-4-3-12-8-13/h1-4,8-11H,5-7H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole has a molecular weight of 174.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)imidazole is sourced from PubChem (CID 12899697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).