(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide

C18H19IN2O — CID 170140733

IUPAC(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
SMILESCc1ccc2c(oc3ccccc32)c1N1C=C[NH+](C)[C@@H]1C.[I-]
InChIInChI=1S/C18H18N2O.HI/c1-12-8-9-15-14-6-4-5-7-16(14)21-18(15)17(12)20-11-10-19(3)13(20)2;/h4-11,13H,1-3H3;1H/t13-;/m0./s1
InChIKeyFIVCRTCYQUXCNX-ZOWNYOTGSA-N
MW406.27 g/mol
LogP0.05
Rot. Bonds1

About (2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide

(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide (PubChem CID 170140733) has the molecular formula C18H19IN2O and a molecular weight of 406.27 g/mol. Its IUPAC name is (2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide.

Molecular Properties

Compound Name(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
PubChem CID170140733
Molecular FormulaC18H19IN2O
Molecular Weight406.27 g/mol
Exact Mass406.05
IUPAC Name(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
SMILESCc1ccc2c(oc3ccccc32)c1N1C=C[NH+](C)[C@@H]1C.[I-]
InChIInChI=1S/C18H18N2O.HI/c1-12-8-9-15-14-6-4-5-7-16(14)21-18(15)17(12)20-11-10-19(3)13(20)2;/h4-11,13H,1-3H3;1H/t13-;/m0./s1
InChIKeyFIVCRTCYQUXCNX-ZOWNYOTGSA-N
XLogP0.05
TPSA20.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
(2R)-1,2-dimethyl-3-(4-methylnaphtho[2,3-b][1]benzofuran-3-yl)-1,2-dihydroimidazol-1-ium iodide
CID 170120197
(2R,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037
(2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 140723613
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296040
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 146363443
1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole
CID 138486784

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide?
The IUPAC name of (2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide (CID 170140733) is (2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide.
What is the SMILES notation for (2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide?
The canonical SMILES for (2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide is Cc1ccc2c(oc3ccccc32)c1N1C=C[NH+](C)[C@@H]1C.[I-].
What is the InChIKey of (2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide?
The InChIKey is FIVCRTCYQUXCNX-ZOWNYOTGSA-N. The full InChI is InChI=1S/C18H18N2O.HI/c1-12-8-9-15-14-6-4-5-7-16(14)21-18(15)17(12)20-11-10-19(3)13(20)2;/h4-11,13H,1-3H3;1H/t13-;/m0./s1.
What are the key properties of (2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide?
(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide has a molecular weight of 406.27 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide is sourced from PubChem (CID 170140733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).