3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium

C244H304N16+8 — CID 159889842

IUPAC3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium
SMILESCc1ccc(C(C)(C)C)cc1-c1n(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2ccc(-c3ccccc3)cc2)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2cccc3ccccc23)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2ccccc2)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C(C)(C)C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C2CCCC2)c2cc(C(C)C)ccc2[n+]1C
InChIInChI=1S/C40H49N2.C34H37N2.C34H45N2.C32H35N2.C28H33N2.C27H37N2.C26H37N2.C23H31N2/c1-25(2)30-18-20-36-37(23-30)42(39(41(36)11)35-24-32(40(8,9)10)19-17-28(35)7)38-33(26(3)4)21-31(22-34(38)27(5)6)29-15-13-12-14-16-29;1-23(2)27-16-20-31-32(21-27)36(29-18-14-26(15-19-29)25-11-9-8-10-12-25)33(35(31)7)30-22-28(34(4,5)6)17-13-24(30)3;1-21(2)25-16-18-30-31(19-25)36(32-27(22(3)4)13-12-14-28(32)23(5)6)33(35(30)11)29-20-26(34(8,9)10)17-15-24(29)7;1-21(2)24-16-18-29-30(19-24)34(28-14-10-12-23-11-8-9-13-26(23)28)31(33(29)7)27-20-25(32(4,5)6)17-15-22(27)3;1-19(2)21-14-16-25-26(17-21)30(23-11-9-8-10-12-23)27(29(25)7)24-18-22(28(4,5)6)15-13-20(24)3;1-18(2)20-13-15-24-25(16-20)29(22-10-8-9-11-22)26(28(24)7)23-17-21(27(4,5)6)14-12-19(23)3;1-17(2)19-12-14-22-23(15-19)28(26(7,8)9)24(27(22)10)21-16-20(25(4,5)6)13-11-18(21)3;1-15(2)17-10-12-20-21(13-17)25(8)22(24(20)7)19-14-18(23(4,5)6)11-9-16(19)3/h12-27H,1-11H3;8-23H,1-7H3;12-23H,1-11H3;8-21H,1-7H3;8-19H,1-7H3;12-18,22H,8-11H2,1-7H3;11-17H,1-10H3;9-15H,1-8H3/q8*+1
InChIKeyPMEZMOOJUIRODC-UHFFFAOYSA-N
MW3461.23 g/mol
LogP62.23
Rot. Bonds28

About 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium

3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium (PubChem CID 159889842) has the molecular formula C244H304N16+8 and a molecular weight of 3461.23 g/mol. Its IUPAC name is 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium.

Molecular Properties

Compound Name3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium
PubChem CID159889842
Molecular FormulaC244H304N16+8
Molecular Weight3461.23 g/mol
Exact Mass3458.42
IUPAC Name3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium
SMILESCc1ccc(C(C)(C)C)cc1-c1n(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2ccc(-c3ccccc3)cc2)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2cccc3ccccc23)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2ccccc2)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C(C)(C)C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C2CCCC2)c2cc(C(C)C)ccc2[n+]1C
InChIInChI=1S/C40H49N2.C34H37N2.C34H45N2.C32H35N2.C28H33N2.C27H37N2.C26H37N2.C23H31N2/c1-25(2)30-18-20-36-37(23-30)42(39(41(36)11)35-24-32(40(8,9)10)19-17-28(35)7)38-33(26(3)4)21-31(22-34(38)27(5)6)29-15-13-12-14-16-29;1-23(2)27-16-20-31-32(21-27)36(29-18-14-26(15-19-29)25-11-9-8-10-12-25)33(35(31)7)30-22-28(34(4,5)6)17-13-24(30)3;1-21(2)25-16-18-30-31(19-25)36(32-27(22(3)4)13-12-14-28(32)23(5)6)33(35(30)11)29-20-26(34(8,9)10)17-15-24(29)7;1-21(2)24-16-18-29-30(19-24)34(28-14-10-12-23-11-8-9-13-26(23)28)31(33(29)7)27-20-25(32(4,5)6)17-15-22(27)3;1-19(2)21-14-16-25-26(17-21)30(23-11-9-8-10-12-23)27(29(25)7)24-18-22(28(4,5)6)15-13-20(24)3;1-18(2)20-13-15-24-25(16-20)29(22-10-8-9-11-22)26(28(24)7)23-17-21(27(4,5)6)14-12-19(23)3;1-17(2)19-12-14-22-23(15-19)28(26(7,8)9)24(27(22)10)21-16-20(25(4,5)6)13-11-18(21)3;1-15(2)17-10-12-20-21(13-17)25(8)22(24(20)7)19-14-18(23(4,5)6)11-9-16(19)3/h12-27H,1-11H3;8-23H,1-7H3;12-23H,1-11H3;8-21H,1-7H3;8-19H,1-7H3;12-18,22H,8-11H2,1-7H3;11-17H,1-10H3;9-15H,1-8H3/q8*+1
InChIKeyPMEZMOOJUIRODC-UHFFFAOYSA-N
XLogP62.23
TPSA70.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms260
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003461.23
LogP ≤ 562.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-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

2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-phenylbenzimidazol-1-ium
CID 158993057
1-tert-butyl-3-methyl-2-(2-methyl-5-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;1-cyclopentyl-3-methyl-2-(2-methyl-5-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methyl-5-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;3-methyl-2-(2-methyl-5-phenylphenyl)-1-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;3-methyl-2-(2-methyl-5-phenylphenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;3-methyl-2-(2-methyl-5-phenylphenyl)-1-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-3-ium;3-methyl-2-(2-methyl-5-phenylphenyl)-1-phenyl-5-propan-2-ylbenzimidazol-3-ium
CID 157459419
2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium;2-(2,5-dimethylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium
CID 160805817
2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-phenyl-3-(4-phenylphenyl)benzimidazol-1-ium
CID 158993056
1-methyl-2-(2-methylphenyl)-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium
CID 158027465
1-methyl-2-(2-methyl-5-phenylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium
CID 158086759
1-methyl-2-(2-methyl-4-propan-2-ylphenyl)-3-(4-phenylphenyl)benzimidazol-1-ium
CID 160701777
5-[2,5-dimethyl-4-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-3-methyl-2-(2-methyl-5-propan-2-ylphenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-3-ium
CID 170120247
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methyltetraphenylen-1-yl)benzimidazol-3-ium;1-methyl-2-(2-methyltetraphenylen-1-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium;1-methyl-2-(2-methyltetraphenylen-1-yl)-3-(2-propan-2-ylphenyl)benzimidazol-1-ium
CID 161414113
1-tert-butyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;[2-(4-tert-butyl-2-methylphenyl)-5-(cyclopentylmethyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-1-methyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-4-yl]-trimethylgermane;1-cyclopentyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methylphenyl)benzimidazol-3-ium;1-ethyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-propan-2-ylbenzimidazol-1-ium
CID 160679869
2-(8-tert-butyl-3-methyldibenzofuran-4-yl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium
CID 167338989
2-(2,5-dimethyl-4-propan-2-ylphenyl)-1-methyl-3-phenylbenzimidazol-1-ium
CID 159100158

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium?
The IUPAC name of 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium (CID 159889842) is 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium.
What is the SMILES notation for 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium?
The canonical SMILES for 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium is Cc1ccc(C(C)(C)C)cc1-c1n(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2ccc(-c3ccccc3)cc2)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2cccc3ccccc23)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(-c2ccccc2)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C(C)(C)C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C2CCCC2)c2cc(C(C)C)ccc2[n+]1C.
What is the InChIKey of 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium?
The InChIKey is PMEZMOOJUIRODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N2.C34H37N2.C34H45N2.C32H35N2.C28H33N2.C27H37N2.C26H37N2.C23H31N2/c1-25(2)30-18-20-36-37(23-30)42(39(41(36)11)35-24-32(40(8,9)10)19-17-28(35)7)38-33(26(3)4)21-31(22-34(38)27(5)6)29-15-13-12-14-16-29;1-23(2)27-16-20-31-32(21-27)36(29-18-14-26(15-19-29)25-11-9-8-10-12-25)33(35(31)7)30-22-28(34(4,5)6)17-13-24(30)3;1-21(2)25-16-18-30-31(19-25)36(32-27(22(3)4)13-12-14-28(32)23(5)6)33(35(30)11)29-20-26(34(8,9)10)17-15-24(29)7;1-21(2)24-16-18-29-30(19-24)34(28-14-10-12-23-11-8-9-13-26(23)28)31(33(29)7)27-20-25(32(4,5)6)17-15-22(27)3;1-19(2)21-14-16-25-26(17-21)30(23-11-9-8-10-12-23)27(29(25)7)24-18-22(28(4,5)6)15-13-20(24)3;1-18(2)20-13-15-24-25(16-20)29(22-10-8-9-11-22)26(28(24)7)23-17-21(27(4,5)6)14-12-19(23)3;1-17(2)19-12-14-22-23(15-19)28(26(7,8)9)24(27(22)10)21-16-20(25(4,5)6)13-11-18(21)3;1-15(2)17-10-12-20-21(13-17)25(8)22(24(20)7)19-14-18(23(4,5)6)11-9-16(19)3/h12-27H,1-11H3;8-23H,1-7H3;12-23H,1-11H3;8-21H,1-7H3;8-19H,1-7H3;12-18,22H,8-11H2,1-7H3;11-17H,1-10H3;9-15H,1-8H3/q8*+1.
What are the key properties of 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium?
3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium has a molecular weight of 3461.23 g/mol, XLogP of 62.23, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-cyclopentyl-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-naphthalen-1-yl-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-phenyl-5-propan-2-ylbenzimidazol-1-ium is sourced from PubChem (CID 159889842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).