1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole

C218H212N16 — CID 160752314

IUPAC1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)(C)Cc1cccc(CC(C)(C)C)c1-n1c(-c2ccccc2)nc2ccccc21.CC(C)(C)Cc1ccccc1-n1c(-c2ccccc2)nc2ccccc21.CC(C)Cc1cccc(CC(C)C)c1-n1c(-c2ccccc2)nc2ccccc21.CC(C)Cc1ccccc1-n1c(-c2ccccc2)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2ccccc2)nc2ccccc21.CC(C)c1cc(C(C)C)c(-n2c(-c3ccccc3)nc3ccccc32)c(C(C)C)c1.c1ccc(-c2cccc(-c3ccccc3)c2-n2c(-c3ccccc3)nc3ccccc32)cc1.c1ccc(-c2ccccc2-n2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C31H22N2.C31H30N2.C29H34N2.C28H32N2.C27H30N2.C25H18N2.C24H24N2.C23H22N2/c1-4-13-23(14-5-1)26-19-12-20-27(24-15-6-2-7-16-24)30(26)33-29-22-11-10-21-28(29)32-31(33)25-17-8-3-9-18-25;1-21(2)26-19-25(23-13-7-5-8-14-23)20-27(22(3)4)30(26)33-29-18-12-11-17-28(29)32-31(33)24-15-9-6-10-16-24;1-28(2,3)19-22-15-12-16-23(20-29(4,5)6)26(22)31-25-18-11-10-17-24(25)30-27(31)21-13-8-7-9-14-21;1-18(2)22-16-23(19(3)4)27(24(17-22)20(5)6)30-26-15-11-10-14-25(26)29-28(30)21-12-8-7-9-13-21;1-19(2)17-22-13-10-14-23(18-20(3)4)26(22)29-25-16-9-8-15-24(25)28-27(29)21-11-6-5-7-12-21;1-3-11-19(12-4-1)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26-25(27)20-13-5-2-6-14-20;1-24(2,3)17-19-13-7-9-15-21(19)26-22-16-10-8-14-20(22)25-23(26)18-11-5-4-6-12-18;1-17(2)16-19-12-6-8-14-21(19)25-22-15-9-7-13-20(22)24-23(25)18-10-4-3-5-11-18/h1-22H;5-22H,1-4H3;7-18H,19-20H2,1-6H3;7-20H,1-6H3;5-16,19-20H,17-18H2,1-4H3;1-18H;4-16H,17H2,1-3H3;3-15,17H,16H2,1-2H3
InChIKeyRWZIDQAIEJTSNJ-UHFFFAOYSA-N
MW3056.21 g/mol
LogP58.19
Rot. Bonds34

About 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole

1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole (PubChem CID 160752314) has the molecular formula C218H212N16 and a molecular weight of 3056.21 g/mol. Its IUPAC name is 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole
PubChem CID160752314
Molecular FormulaC218H212N16
Molecular Weight3056.21 g/mol
Exact Mass3053.71
IUPAC Name1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)(C)Cc1cccc(CC(C)(C)C)c1-n1c(-c2ccccc2)nc2ccccc21.CC(C)(C)Cc1ccccc1-n1c(-c2ccccc2)nc2ccccc21.CC(C)Cc1cccc(CC(C)C)c1-n1c(-c2ccccc2)nc2ccccc21.CC(C)Cc1ccccc1-n1c(-c2ccccc2)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2ccccc2)nc2ccccc21.CC(C)c1cc(C(C)C)c(-n2c(-c3ccccc3)nc3ccccc32)c(C(C)C)c1.c1ccc(-c2cccc(-c3ccccc3)c2-n2c(-c3ccccc3)nc3ccccc32)cc1.c1ccc(-c2ccccc2-n2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C31H22N2.C31H30N2.C29H34N2.C28H32N2.C27H30N2.C25H18N2.C24H24N2.C23H22N2/c1-4-13-23(14-5-1)26-19-12-20-27(24-15-6-2-7-16-24)30(26)33-29-22-11-10-21-28(29)32-31(33)25-17-8-3-9-18-25;1-21(2)26-19-25(23-13-7-5-8-14-23)20-27(22(3)4)30(26)33-29-18-12-11-17-28(29)32-31(33)24-15-9-6-10-16-24;1-28(2,3)19-22-15-12-16-23(20-29(4,5)6)26(22)31-25-18-11-10-17-24(25)30-27(31)21-13-8-7-9-14-21;1-18(2)22-16-23(19(3)4)27(24(17-22)20(5)6)30-26-15-11-10-14-25(26)29-28(30)21-12-8-7-9-13-21;1-19(2)17-22-13-10-14-23(18-20(3)4)26(22)29-25-16-9-8-15-24(25)28-27(29)21-11-6-5-7-12-21;1-3-11-19(12-4-1)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26-25(27)20-13-5-2-6-14-20;1-24(2,3)17-19-13-7-9-15-21(19)26-22-16-10-8-14-20(22)25-23(26)18-11-5-4-6-12-18;1-17(2)16-19-12-6-8-14-21(19)25-22-15-9-7-13-20(22)24-23(25)18-10-4-3-5-11-18/h1-22H;5-22H,1-4H3;7-18H,19-20H2,1-6H3;7-20H,1-6H3;5-16,19-20H,17-18H2,1-4H3;1-18H;4-16H,17H2,1-3H3;3-15,17H,16H2,1-2H3
InChIKeyRWZIDQAIEJTSNJ-UHFFFAOYSA-N
XLogP58.19
TPSA142.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003056.21
LogP ≤ 558.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole with MolForge

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Related Compounds

1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole
CID 160853102
1-[2-(2,2-dimethylpropyl)-6-[4-[1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-phenylbenzimidazol-5-yl]-2,2-dimethylbutyl]phenyl]-5-methyl-2-phenylbenzimidazole
CID 90985376
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 162445523
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
CID 176796235
1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole
CID 143996079
1-[2-[4-phenyl-6-[2-[2-(2-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(2-propan-2-ylphenyl)benzimidazole
CID 155185803
2-(2,4-diphenyl-1-benzofuran-6-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170517078
1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole
CID 158707390
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(8-propan-2-yldibenzothiophen-2-yl)benzimidazole
CID 156660137
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(10,14,21-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-8-yl)benzimidazole
CID 168799242
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole?
The IUPAC name of 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole (CID 160752314) is 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole is CC(C)(C)Cc1cccc(CC(C)(C)C)c1-n1c(-c2ccccc2)nc2ccccc21.CC(C)(C)Cc1ccccc1-n1c(-c2ccccc2)nc2ccccc21.CC(C)Cc1cccc(CC(C)C)c1-n1c(-c2ccccc2)nc2ccccc21.CC(C)Cc1ccccc1-n1c(-c2ccccc2)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2ccccc2)nc2ccccc21.CC(C)c1cc(C(C)C)c(-n2c(-c3ccccc3)nc3ccccc32)c(C(C)C)c1.c1ccc(-c2cccc(-c3ccccc3)c2-n2c(-c3ccccc3)nc3ccccc32)cc1.c1ccc(-c2ccccc2-n2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole?
The InChIKey is RWZIDQAIEJTSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2.C31H30N2.C29H34N2.C28H32N2.C27H30N2.C25H18N2.C24H24N2.C23H22N2/c1-4-13-23(14-5-1)26-19-12-20-27(24-15-6-2-7-16-24)30(26)33-29-22-11-10-21-28(29)32-31(33)25-17-8-3-9-18-25;1-21(2)26-19-25(23-13-7-5-8-14-23)20-27(22(3)4)30(26)33-29-18-12-11-17-28(29)32-31(33)24-15-9-6-10-16-24;1-28(2,3)19-22-15-12-16-23(20-29(4,5)6)26(22)31-25-18-11-10-17-24(25)30-27(31)21-13-8-7-9-14-21;1-18(2)22-16-23(19(3)4)27(24(17-22)20(5)6)30-26-15-11-10-14-25(26)29-28(30)21-12-8-7-9-13-21;1-19(2)17-22-13-10-14-23(18-20(3)4)26(22)29-25-16-9-8-15-24(25)28-27(29)21-11-6-5-7-12-21;1-3-11-19(12-4-1)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26-25(27)20-13-5-2-6-14-20;1-24(2,3)17-19-13-7-9-15-21(19)26-22-16-10-8-14-20(22)25-23(26)18-11-5-4-6-12-18;1-17(2)16-19-12-6-8-14-21(19)25-22-15-9-7-13-20(22)24-23(25)18-10-4-3-5-11-18/h1-22H;5-22H,1-4H3;7-18H,19-20H2,1-6H3;7-20H,1-6H3;5-16,19-20H,17-18H2,1-4H3;1-18H;4-16H,17H2,1-3H3;3-15,17H,16H2,1-2H3.
What are the key properties of 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole?
1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole has a molecular weight of 3056.21 g/mol, XLogP of 58.19, 34 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylbenzimidazole;1-[2-(2,2-dimethylpropyl)phenyl]-2-phenylbenzimidazole;1-(2,6-diphenylphenyl)-2-phenylbenzimidazole;1-[2-(2-methylpropyl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole;2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 160752314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).