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

C162H172N12 — CID 160853102

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-(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
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
InChIInChI=1S/C31H30N2.C29H34N2.C28H32N2.C27H30N2.C24H24N2.C23H22N2/c1-21(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;1-24(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/h5-22H,1-4H3;7-18H,19-20H2,1-6H3;7-20H,1-6H3;5-16,19-20H,17-18H2,1-4H3;4-16H,17H2,1-3H3;3-15,17H,16H2,1-2H3
InChIKeySJNDHKIJQUSPIQ-UHFFFAOYSA-N
MW2287.24 g/mol
LogP43.80
Rot. Bonds27

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-(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

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 (PubChem CID 160853102) has the molecular formula C162H172N12 and a molecular weight of 2287.24 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-(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.

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-(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
PubChem CID160853102
Molecular FormulaC162H172N12
Molecular Weight2287.24 g/mol
Exact Mass2285.38
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-(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
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
InChIInChI=1S/C31H30N2.C29H34N2.C28H32N2.C27H30N2.C24H24N2.C23H22N2/c1-21(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;1-24(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/h5-22H,1-4H3;7-18H,19-20H2,1-6H3;7-20H,1-6H3;5-16,19-20H,17-18H2,1-4H3;4-16H,17H2,1-3H3;3-15,17H,16H2,1-2H3
InChIKeySJNDHKIJQUSPIQ-UHFFFAOYSA-N
XLogP43.80
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002287.24
LogP ≤ 543.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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-(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 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-(2,6-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
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
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(8-propan-2-yldibenzothiophen-2-yl)benzimidazole
CID 156660137
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-diphenylmethyl]phenyl]benzimidazole
CID 140593746
9-methyl-4-(2-phenylbenzimidazol-1-yl)-1,3-di(propan-2-yl)carbazole
CID 58400928
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
CID 166043849
2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156658716
5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole
CID 143996063
2-(8-methyldibenzothiophen-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657347
2-(2,4-diphenyl-1-benzofuran-6-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170517078
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271

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-(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?
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-(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) 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-(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.
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-(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?
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-(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 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.
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-(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?
The InChIKey is SJNDHKIJQUSPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2.C29H34N2.C28H32N2.C27H30N2.C24H24N2.C23H22N2/c1-21(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;1-24(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/h5-22H,1-4H3;7-18H,19-20H2,1-6H3;7-20H,1-6H3;5-16,19-20H,17-18H2,1-4H3;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-(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?
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 has a molecular weight of 2287.24 g/mol, XLogP of 43.80, 27 rotatable bonds, 0 hydrogen bond donors, and 12 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-(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 is sourced from PubChem (CID 160853102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).