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

C10H12N2 — CID 91700479

IUPAC5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole
SMILESC1=CC2CC1CC2c1cnc[nH]1
InChIInChI=1S/C10H12N2/c1-2-8-3-7(1)4-9(8)10-5-11-6-12-10/h1-2,5-9H,3-4H2,(H,11,12)
InChIKeyNOCYSFFUDDUKLR-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.09
Rot. Bonds1

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

5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole (PubChem CID 91700479) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole
PubChem CID91700479
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole
SMILESC1=CC2CC1CC2c1cnc[nH]1
InChIInChI=1S/C10H12N2/c1-2-8-3-7(1)4-9(8)10-5-11-6-12-10/h1-2,5-9H,3-4H2,(H,11,12)
InChIKeyNOCYSFFUDDUKLR-UHFFFAOYSA-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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Related Compounds

5-(2-methylcyclopropyl)-1H-imidazole
CID 72588094
2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide
CID 19031519
2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde
CID 19593166
4-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]pyridine
CID 58543813
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole
CID 165345939
5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole
CID 143109546
trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine
CID 10240978
5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
CID 91362037
6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine
CID 51381031
(1S,4R,5S)-5-phenylbicyclo[2.2.1]hept-2-ene
CID 98052947
5-(2-ethylpyrrolidin-3-yl)-1H-imidazole
CID 86170583
5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole
CID 131855201

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole (CID 91700479) is 5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole is C1=CC2CC1CC2c1cnc[nH]1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole?
The InChIKey is NOCYSFFUDDUKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-8-3-7(1)4-9(8)10-5-11-6-12-10/h1-2,5-9H,3-4H2,(H,11,12).
What are the key properties of 5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole?
5-(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 5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole is sourced from PubChem (CID 91700479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).