1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium

C209H371N26S2+13 — CID 158623267

IUPAC1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(CC2C=CC=N2)CC1.CC(C)C1CCC(C[NH+]2C=CC=N2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)C1CCC(Cn2cc[n+](C)c2)C1.CC(C)C1CCC(Cn2cc[n+](C)c2)CC1.CC(C)CC[NH+]1C=CC=N1.CC(C)CC[n+]1ccsc1.CC(C)CCn1cc[n+](C)c1.CC(C)c1ccc(CC2C=CC=N2)cc1.CC(C)c1ccc(C[n+]2ccn(-c3ccc(C(C)C)cc3)c2)cc1.CC(C)c1ccc(Cn2cc[n+](C)c2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](CC2CCC(C(C)C)CC2)c1.CCn1cc[n+](CCC(C)C)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H27N2.C15H27N2.C15H21N2.C14H25N2.C14H19N2.C14H25N2.C14H23N.C14H17N.C13H23N2.C13H22NS.C12H20N2.C10H19N2.C9H17N2.C8H14N2.C8H14NS.14CH4/c1-17(2)20-7-5-19(6-8-20)15-23-13-14-24(16-23)22-11-9-21(10-12-22)18(3)4;2*1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-12(2)14-6-4-13(5-7-14)10-16-9-8-15(3)11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;2*1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14;1-11(2)13-5-4-12(8-13)9-15-7-6-14(3)10-15;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-5-4-11(8-12)9-14-7-3-6-13-14;1-4-11-7-8-12(9-11)6-5-10(2)3;1-9(2)4-5-11-7-6-10(3)8-11;1-8(2)4-7-10-6-3-5-9-10;1-8(2)3-4-9-5-6-10-7-9;;;;;;;;;;;;;;/h5-14,16-18H,15H2,1-4H3;9-10,12-15H,4-8,11H2,1-3H3;5-10,12-13H,4,11H2,1-3H3;8-9,11-14H,4-7,10H2,1-3H3;4-9,11-12H,10H2,1-3H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-4,9,11-14H,5-8,10H2,1-2H3;3-9,11,14H,10H2,1-2H3;6-7,10-13H,4-5,8-9H2,1-3H3;7-8,10-13H,3-6,9H2,1-2H3;3,6-7,10-12H,4-5,8-9H2,1-2H3;7-10H,4-6H2,1-3H3;6-9H,4-5H2,1-3H3;3,5-6,8H,4,7H2,1-2H3;5-8H,3-4H2,1-2H3;14*1H4/q6*+1;;;2*+1;;2*+1;;+1;;;;;;;;;;;;;;/p+2
InChIKeyHYGOMHLACWJOLM-UHFFFAOYSA-P
MW3312.58 g/mol
LogP48.58
Rot. Bonds51

About 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium

1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium (PubChem CID 158623267) has the molecular formula C209H371N26S2+13 and a molecular weight of 3312.58 g/mol. Its IUPAC name is 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium.

Molecular Properties

Compound Name1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium
PubChem CID158623267
Molecular FormulaC209H371N26S2+13
Molecular Weight3312.58 g/mol
Exact Mass3309.92
IUPAC Name1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(CC2C=CC=N2)CC1.CC(C)C1CCC(C[NH+]2C=CC=N2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)C1CCC(Cn2cc[n+](C)c2)C1.CC(C)C1CCC(Cn2cc[n+](C)c2)CC1.CC(C)CC[NH+]1C=CC=N1.CC(C)CC[n+]1ccsc1.CC(C)CCn1cc[n+](C)c1.CC(C)c1ccc(CC2C=CC=N2)cc1.CC(C)c1ccc(C[n+]2ccn(-c3ccc(C(C)C)cc3)c2)cc1.CC(C)c1ccc(Cn2cc[n+](C)c2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](CC2CCC(C(C)C)CC2)c1.CCn1cc[n+](CCC(C)C)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H27N2.C15H27N2.C15H21N2.C14H25N2.C14H19N2.C14H25N2.C14H23N.C14H17N.C13H23N2.C13H22NS.C12H20N2.C10H19N2.C9H17N2.C8H14N2.C8H14NS.14CH4/c1-17(2)20-7-5-19(6-8-20)15-23-13-14-24(16-23)22-11-9-21(10-12-22)18(3)4;2*1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-12(2)14-6-4-13(5-7-14)10-16-9-8-15(3)11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;2*1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14;1-11(2)13-5-4-12(8-13)9-15-7-6-14(3)10-15;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-5-4-11(8-12)9-14-7-3-6-13-14;1-4-11-7-8-12(9-11)6-5-10(2)3;1-9(2)4-5-11-7-6-10(3)8-11;1-8(2)4-7-10-6-3-5-9-10;1-8(2)3-4-9-5-6-10-7-9;;;;;;;;;;;;;;/h5-14,16-18H,15H2,1-4H3;9-10,12-15H,4-8,11H2,1-3H3;5-10,12-13H,4,11H2,1-3H3;8-9,11-14H,4-7,10H2,1-3H3;4-9,11-12H,10H2,1-3H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-4,9,11-14H,5-8,10H2,1-2H3;3-9,11,14H,10H2,1-2H3;6-7,10-13H,4-5,8-9H2,1-3H3;7-8,10-13H,3-6,9H2,1-2H3;3,6-7,10-12H,4-5,8-9H2,1-2H3;7-10H,4-6H2,1-3H3;6-9H,4-5H2,1-3H3;3,5-6,8H,4,7H2,1-2H3;5-8H,3-4H2,1-2H3;14*1H4/q6*+1;;;2*+1;;2*+1;;+1;;;;;;;;;;;;;;/p+2
InChIKeyHYGOMHLACWJOLM-UHFFFAOYSA-P
XLogP48.58
TPSA145.37 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds51
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003312.58
LogP ≤ 548.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium 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-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium?
The IUPAC name of 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium (CID 158623267) is 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium.
What is the SMILES notation for 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium?
The canonical SMILES for 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(CC2C=CC=N2)CC1.CC(C)C1CCC(C[NH+]2C=CC=N2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)C1CCC(Cn2cc[n+](C)c2)C1.CC(C)C1CCC(Cn2cc[n+](C)c2)CC1.CC(C)CC[NH+]1C=CC=N1.CC(C)CC[n+]1ccsc1.CC(C)CCn1cc[n+](C)c1.CC(C)c1ccc(CC2C=CC=N2)cc1.CC(C)c1ccc(C[n+]2ccn(-c3ccc(C(C)C)cc3)c2)cc1.CC(C)c1ccc(Cn2cc[n+](C)c2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](CC2CCC(C(C)C)CC2)c1.CCn1cc[n+](CCC(C)C)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium?
The InChIKey is HYGOMHLACWJOLM-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H27N2.C15H27N2.C15H21N2.C14H25N2.C14H19N2.C14H25N2.C14H23N.C14H17N.C13H23N2.C13H22NS.C12H20N2.C10H19N2.C9H17N2.C8H14N2.C8H14NS.14CH4/c1-17(2)20-7-5-19(6-8-20)15-23-13-14-24(16-23)22-11-9-21(10-12-22)18(3)4;2*1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-12(2)14-6-4-13(5-7-14)10-16-9-8-15(3)11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;2*1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14;1-11(2)13-5-4-12(8-13)9-15-7-6-14(3)10-15;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-5-4-11(8-12)9-14-7-3-6-13-14;1-4-11-7-8-12(9-11)6-5-10(2)3;1-9(2)4-5-11-7-6-10(3)8-11;1-8(2)4-7-10-6-3-5-9-10;1-8(2)3-4-9-5-6-10-7-9;;;;;;;;;;;;;;/h5-14,16-18H,15H2,1-4H3;9-10,12-15H,4-8,11H2,1-3H3;5-10,12-13H,4,11H2,1-3H3;8-9,11-14H,4-7,10H2,1-3H3;4-9,11-12H,10H2,1-3H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-4,9,11-14H,5-8,10H2,1-2H3;3-9,11,14H,10H2,1-2H3;6-7,10-13H,4-5,8-9H2,1-3H3;7-8,10-13H,3-6,9H2,1-2H3;3,6-7,10-12H,4-5,8-9H2,1-2H3;7-10H,4-6H2,1-3H3;6-9H,4-5H2,1-3H3;3,5-6,8H,4,7H2,1-2H3;5-8H,3-4H2,1-2H3;14*1H4/q6*+1;;;2*+1;;2*+1;;+1;;;;;;;;;;;;;;/p+2.
What are the key properties of 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium?
1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium has a molecular weight of 3312.58 g/mol, XLogP of 48.58, 51 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-pyrazol-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;1-methyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-1-ium;1-methyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-1-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]-1H-pyrazol-1-ium;2-[(4-propan-2-ylphenyl)methyl]-2H-pyrrole;1-(4-propan-2-ylphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium is sourced from PubChem (CID 158623267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).