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

C201H349N24+11 — CID 160753927

IUPAC1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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.CC(C)C1CCC(CC2C=CC=N2)CC1.CC(C)C1CCC(C[NH+]2C=CC=N2)C1.CC(C)C1CCC(Cn2cc[n+](C)c2)C1.CC(C)C1CCC(Cn2cc[n+](C)c2)CC1.CC(C)CC[NH+]1C=CN=C1.CC(C)CCn1cc[n+](C)c1.CC(C)c1ccc(-n2cc[n+](CC3CCC(C(C)C)C3)c2)cc1.CC(C)c1ccc(-n2cc[n+](CC3CCC(C(C)C)CC3)c2)cc1.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)CC2)c1.CCn1cc[n+](CCC(C)C)c1
InChIInChI=1S/C22H33N2.C22H27N2.C21H31N2.C15H27N2.C14H25N2.C14H19N2.C14H23N.C14H17N.C13H23N2.C12H20N2.C10H19N2.C9H17N2.C8H14N2.13CH4/c2*1-17(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;1-16(2)19-7-9-21(10-8-19)23-12-11-22(15-23)14-18-5-6-20(13-18)17(3)4;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;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;1-10(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)3-5-10-6-4-9-7-10;;;;;;;;;;;;;/h9-14,16-20H,5-8,15H2,1-4H3;5-14,16-18H,15H2,1-4H3;7-12,15-18,20H,5-6,13-14H2,1-4H3;9-10,12-15H,4-8,11H2,1-3H3;8-9,11-14H,4-7,10H2,1-3H3;4-9,11-12H,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;3,6-7,10-12H,4-5,8-9H2,1-2H3;7-10H,4-6H2,1-3H3;6-9H,4-5H2,1-3H3;4,6-8H,3,5H2,1-2H3;13*1H4/q6*+1;;;+1;;2*+1;;;;;;;;;;;;;;/p+2
InChIKeyRXEHFWUTRRFICT-UHFFFAOYSA-P
MW3102.17 g/mol
LogP46.84
Rot. Bonds47

About 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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 160753927) has the molecular formula C201H349N24+11 and a molecular weight of 3102.17 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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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 CID160753927
Molecular FormulaC201H349N24+11
Molecular Weight3102.17 g/mol
Exact Mass3099.80
IUPAC Name1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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.CC(C)C1CCC(CC2C=CC=N2)CC1.CC(C)C1CCC(C[NH+]2C=CC=N2)C1.CC(C)C1CCC(Cn2cc[n+](C)c2)C1.CC(C)C1CCC(Cn2cc[n+](C)c2)CC1.CC(C)CC[NH+]1C=CN=C1.CC(C)CCn1cc[n+](C)c1.CC(C)c1ccc(-n2cc[n+](CC3CCC(C(C)C)C3)c2)cc1.CC(C)c1ccc(-n2cc[n+](CC3CCC(C(C)C)CC3)c2)cc1.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)CC2)c1.CCn1cc[n+](CCC(C)C)c1
InChIInChI=1S/C22H33N2.C22H27N2.C21H31N2.C15H27N2.C14H25N2.C14H19N2.C14H23N.C14H17N.C13H23N2.C12H20N2.C10H19N2.C9H17N2.C8H14N2.13CH4/c2*1-17(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;1-16(2)19-7-9-21(10-8-19)23-12-11-22(15-23)14-18-5-6-20(13-18)17(3)4;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;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;1-10(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)3-5-10-6-4-9-7-10;;;;;;;;;;;;;/h9-14,16-20H,5-8,15H2,1-4H3;5-14,16-18H,15H2,1-4H3;7-12,15-18,20H,5-6,13-14H2,1-4H3;9-10,12-15H,4-8,11H2,1-3H3;8-9,11-14H,4-7,10H2,1-3H3;4-9,11-12H,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;3,6-7,10-12H,4-5,8-9H2,1-2H3;7-10H,4-6H2,1-3H3;6-9H,4-5H2,1-3H3;4,6-8H,3,5H2,1-2H3;13*1H4/q6*+1;;;+1;;2*+1;;;;;;;;;;;;;;/p+2
InChIKeyRXEHFWUTRRFICT-UHFFFAOYSA-P
XLogP46.84
TPSA137.61 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds47
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003102.17
LogP ≤ 546.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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

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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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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 160753927) is 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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.CC(C)C1CCC(CC2C=CC=N2)CC1.CC(C)C1CCC(C[NH+]2C=CC=N2)C1.CC(C)C1CCC(Cn2cc[n+](C)c2)C1.CC(C)C1CCC(Cn2cc[n+](C)c2)CC1.CC(C)CC[NH+]1C=CN=C1.CC(C)CCn1cc[n+](C)c1.CC(C)c1ccc(-n2cc[n+](CC3CCC(C(C)C)C3)c2)cc1.CC(C)c1ccc(-n2cc[n+](CC3CCC(C(C)C)CC3)c2)cc1.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)CC2)c1.CCn1cc[n+](CCC(C)C)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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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 RXEHFWUTRRFICT-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H33N2.C22H27N2.C21H31N2.C15H27N2.C14H25N2.C14H19N2.C14H23N.C14H17N.C13H23N2.C12H20N2.C10H19N2.C9H17N2.C8H14N2.13CH4/c2*1-17(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;1-16(2)19-7-9-21(10-8-19)23-12-11-22(15-23)14-18-5-6-20(13-18)17(3)4;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;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;1-10(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)3-5-10-6-4-9-7-10;;;;;;;;;;;;;/h9-14,16-20H,5-8,15H2,1-4H3;5-14,16-18H,15H2,1-4H3;7-12,15-18,20H,5-6,13-14H2,1-4H3;9-10,12-15H,4-8,11H2,1-3H3;8-9,11-14H,4-7,10H2,1-3H3;4-9,11-12H,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;3,6-7,10-12H,4-5,8-9H2,1-2H3;7-10H,4-6H2,1-3H3;6-9H,4-5H2,1-3H3;4,6-8H,3,5H2,1-2H3;13*1H4/q6*+1;;;+1;;2*+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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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 3102.17 g/mol, XLogP of 46.84, 47 rotatable bonds, 2 hydrogen bond donors, and 13 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;methane;1-(3-methylbutyl)-1H-imidazol-1-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;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole;1-[(3-propan-2-ylcyclopentyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-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 160753927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).