1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium

C23H35N2+ — CID 22661628

IUPAC1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium
SMILESCC1C(N2C=[N+](C3=CC4CC(C3C)C4(C)C)CC2)=CC2CC1C2(C)C
InChIInChI=1S/C23H35N2/c1-14-18-9-16(22(18,3)4)11-20(14)24-7-8-25(13-24)21-12-17-10-19(15(21)2)23(17,5)6/h11-19H,7-10H2,1-6H3/q+1
InChIKeyIZVDDSOHJMSZDY-UHFFFAOYSA-N
MW339.55 g/mol
LogP4.73
Rot. Bonds2

About 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium

1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium (PubChem CID 22661628) has the molecular formula C23H35N2+ and a molecular weight of 339.55 g/mol. Its IUPAC name is 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium
PubChem CID22661628
Molecular FormulaC23H35N2+
Molecular Weight339.55 g/mol
Exact Mass339.28
IUPAC Name1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium
SMILESCC1C(N2C=[N+](C3=CC4CC(C3C)C4(C)C)CC2)=CC2CC1C2(C)C
InChIInChI=1S/C23H35N2/c1-14-18-9-16(22(18,3)4)11-20(14)24-7-8-25(13-24)21-12-17-10-19(15(21)2)23(17,5)6/h11-19H,7-10H2,1-6H3/q+1
InChIKeyIZVDDSOHJMSZDY-UHFFFAOYSA-N
XLogP4.73
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium with MolForge

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

Launch Full Analysis

Related Compounds

methyl-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)boranuide
CID 173394328
(1S,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene-3-carbonyl azide
CID 134875238
CID 23051882
CID 23051882
5,9,9-trimethyl-5lambda5-phosphatricyclo[6.1.1.02,6]dec-6-ene 5-oxide
CID 597604
(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol
CID 124556662
3-iodo-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexane
CID 174292993
1,3-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-ium bromide
CID 10523289
10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene
CID 91198196
3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene
CID 162801028
diethyl-[(1R,6S)-4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl]borane
CID 10867418
(3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine
CID 146163599
1,3-bis(4-bromo-2,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium chloride
CID 11511195

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium (CID 22661628) is 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium is CC1C(N2C=[N+](C3=CC4CC(C3C)C4(C)C)CC2)=CC2CC1C2(C)C.
What is the InChIKey of 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium?
The InChIKey is IZVDDSOHJMSZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N2/c1-14-18-9-16(22(18,3)4)11-20(14)24-7-8-25(13-24)21-12-17-10-19(15(21)2)23(17,5)6/h11-19H,7-10H2,1-6H3/q+1.
What are the key properties of 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium?
1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium has a molecular weight of 339.55 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4,6,6-trimethyl-3-bicyclo[3.1.1]hept-2-enyl)-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 22661628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).