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

C260H272N16+8 — CID 157459419

IUPAC1-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
SMILESCc1ccc(-c2ccccc2)cc1-c1n(-c2ccc(-c3ccccc3)cc2)c2ccc(C(C)C)cc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(-c2ccccc2)c2ccc(C(C)C)cc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1-c1c(C(C)C)cccc1C(C)C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1-c1cccc2ccccc12.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C(C)(C)C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C1CCCC1
InChIInChI=1S/C42H45N2.C36H33N2.C36H41N2.C34H31N2.C30H29N2.C29H33N2.C28H33N2.C25H27N2/c1-27(2)33-21-22-39-40(26-33)43(8)42(38-23-34(20-19-30(38)7)31-15-11-9-12-16-31)44(39)41-36(28(3)4)24-35(25-37(41)29(5)6)32-17-13-10-14-18-32;1-25(2)30-19-22-34-35(24-30)37(4)36(33-23-31(16-15-26(33)3)28-13-9-6-10-14-28)38(34)32-20-17-29(18-21-32)27-11-7-5-8-12-27;1-23(2)28-19-20-33-34(22-28)37(8)36(32-21-29(18-17-26(32)7)27-13-10-9-11-14-27)38(33)35-30(24(3)4)15-12-16-31(35)25(5)6;1-23(2)27-19-20-32-33(22-27)35(4)34(36(32)31-16-10-14-26-13-8-9-15-29(26)31)30-21-28(18-17-24(30)3)25-11-6-5-7-12-25;1-21(2)24-17-18-28-29(20-24)31(4)30(32(28)26-13-9-6-10-14-26)27-19-25(16-15-22(27)3)23-11-7-5-8-12-23;1-20(2)23-16-17-27-28(19-23)30(4)29(31(27)25-12-8-9-13-25)26-18-24(15-14-21(26)3)22-10-6-5-7-11-22;1-19(2)22-15-16-25-26(18-22)29(7)27(30(25)28(4,5)6)24-17-23(14-13-20(24)3)21-11-9-8-10-12-21;1-17(2)20-13-14-23-24(16-20)27(5)25(26(23)4)22-15-21(12-11-18(22)3)19-9-7-6-8-10-19/h9-29H,1-8H3;5-25H,1-4H3;9-25H,1-8H3;5-23H,1-4H3;5-21H,1-4H3;5-7,10-11,14-20,25H,8-9,12-13H2,1-4H3;8-19H,1-7H3;6-17H,1-5H3/q8*+1
InChIKeyHSXJMEGQXBABHZ-UHFFFAOYSA-N
MW3621.15 g/mol
LogP65.19
Rot. Bonds36

About 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

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 (PubChem CID 157459419) has the molecular formula C260H272N16+8 and a molecular weight of 3621.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID157459419
Molecular FormulaC260H272N16+8
Molecular Weight3621.15 g/mol
Exact Mass3618.17
IUPAC Name1-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
SMILESCc1ccc(-c2ccccc2)cc1-c1n(-c2ccc(-c3ccccc3)cc2)c2ccc(C(C)C)cc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(-c2ccccc2)c2ccc(C(C)C)cc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1-c1c(C(C)C)cccc1C(C)C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1-c1cccc2ccccc12.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C(C)(C)C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C1CCCC1
InChIInChI=1S/C42H45N2.C36H33N2.C36H41N2.C34H31N2.C30H29N2.C29H33N2.C28H33N2.C25H27N2/c1-27(2)33-21-22-39-40(26-33)43(8)42(38-23-34(20-19-30(38)7)31-15-11-9-12-16-31)44(39)41-36(28(3)4)24-35(25-37(41)29(5)6)32-17-13-10-14-18-32;1-25(2)30-19-22-34-35(24-30)37(4)36(33-23-31(16-15-26(33)3)28-13-9-6-10-14-28)38(34)32-20-17-29(18-21-32)27-11-7-5-8-12-27;1-23(2)28-19-20-33-34(22-28)37(8)36(32-21-29(18-17-26(32)7)27-13-10-9-11-14-27)38(33)35-30(24(3)4)15-12-16-31(35)25(5)6;1-23(2)27-19-20-32-33(22-27)35(4)34(36(32)31-16-10-14-26-13-8-9-15-29(26)31)30-21-28(18-17-24(30)3)25-11-6-5-7-12-25;1-21(2)24-17-18-28-29(20-24)31(4)30(32(28)26-13-9-6-10-14-26)27-19-25(16-15-22(27)3)23-11-7-5-8-12-23;1-20(2)23-16-17-27-28(19-23)30(4)29(31(27)25-12-8-9-13-25)26-18-24(15-14-21(26)3)22-10-6-5-7-11-22;1-19(2)22-15-16-25-26(18-22)29(7)27(30(25)28(4,5)6)24-17-23(14-13-20(24)3)21-11-9-8-10-12-21;1-17(2)20-13-14-23-24(16-20)27(5)25(26(23)4)22-15-21(12-11-18(22)3)19-9-7-6-8-10-19/h9-29H,1-8H3;5-25H,1-4H3;9-25H,1-8H3;5-23H,1-4H3;5-21H,1-4H3;5-7,10-11,14-20,25H,8-9,12-13H2,1-4H3;8-19H,1-7H3;6-17H,1-5H3/q8*+1
InChIKeyHSXJMEGQXBABHZ-UHFFFAOYSA-N
XLogP65.19
TPSA70.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms276
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003621.15
LogP ≤ 565.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 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

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
1-methyl-2-(2-methylphenyl)-3-(4-phenylphenyl)-5-propan-2-ylbenzimidazol-1-ium
CID 158027465
5-isocyano-3-methyl-2-(2-methylphenyl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium
CID 177293759
1-methyl-2-(2-methyl-4-propan-2-ylphenyl)-3-(4-phenylphenyl)benzimidazol-1-ium
CID 160701777
2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-phenylbenzimidazol-1-ium
CID 158993057
1-methyl-2-(2-methyl-5-phenylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium
CID 158086759
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
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
3-methyl-2-(2-methylphenyl)-1,5-diphenylbenzimidazol-3-ium
CID 161260504
1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethyl-2-(2-methylphenyl)benzimidazol-1-ium
CID 161298586
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccccc2)cc1-c1n(-c2ccc(-c3ccccc3)cc2)c2ccc(C(C)C)cc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(-c2ccccc2)c2ccc(C(C)C)cc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1-c1c(C(C)C)cccc1C(C)C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1-c1cccc2ccccc12.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C(C)(C)C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2cc(C(C)C)ccc2[n+]1C1CCCC1.
What is the InChIKey of 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?
The InChIKey is HSXJMEGQXBABHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N2.C36H33N2.C36H41N2.C34H31N2.C30H29N2.C29H33N2.C28H33N2.C25H27N2/c1-27(2)33-21-22-39-40(26-33)43(8)42(38-23-34(20-19-30(38)7)31-15-11-9-12-16-31)44(39)41-36(28(3)4)24-35(25-37(41)29(5)6)32-17-13-10-14-18-32;1-25(2)30-19-22-34-35(24-30)37(4)36(33-23-31(16-15-26(33)3)28-13-9-6-10-14-28)38(34)32-20-17-29(18-21-32)27-11-7-5-8-12-27;1-23(2)28-19-20-33-34(22-28)37(8)36(32-21-29(18-17-26(32)7)27-13-10-9-11-14-27)38(33)35-30(24(3)4)15-12-16-31(35)25(5)6;1-23(2)27-19-20-32-33(22-27)35(4)34(36(32)31-16-10-14-26-13-8-9-15-29(26)31)30-21-28(18-17-24(30)3)25-11-6-5-7-12-25;1-21(2)24-17-18-28-29(20-24)31(4)30(32(28)26-13-9-6-10-14-26)27-19-25(16-15-22(27)3)23-11-7-5-8-12-23;1-20(2)23-16-17-27-28(19-23)30(4)29(31(27)25-12-8-9-13-25)26-18-24(15-14-21(26)3)22-10-6-5-7-11-22;1-19(2)22-15-16-25-26(18-22)29(7)27(30(25)28(4,5)6)24-17-23(14-13-20(24)3)21-11-9-8-10-12-21;1-17(2)20-13-14-23-24(16-20)27(5)25(26(23)4)22-15-21(12-11-18(22)3)19-9-7-6-8-10-19/h9-29H,1-8H3;5-25H,1-4H3;9-25H,1-8H3;5-23H,1-4H3;5-21H,1-4H3;5-7,10-11,14-20,25H,8-9,12-13H2,1-4H3;8-19H,1-7H3;6-17H,1-5H3/q8*+1.
What are the key properties of 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?
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 has a molecular weight of 3621.15 g/mol, XLogP of 65.19, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157459419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).