bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole

C91H106N10 — CID 159326911

IUPACbis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole
SMILESCc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@H]1C.Cc1ccccc1N1C=CN(c2c(C)cccc2C)[C@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C
InChIInChI=1S/C23H30N2.C19H22N2.C17H18N2.2C16H18N2/c1-16(2)20-11-9-12-21(17(3)4)23(20)25-15-14-24(19(25)6)22-13-8-7-10-18(22)5;1-14-8-5-6-11-18(14)20-12-13-21(17(20)4)19-15(2)9-7-10-16(19)3;1-14-8-6-7-11-17(14)19-13-12-18(15(19)2)16-9-4-3-5-10-16;2*1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18/h7-17,19H,1-6H3;5-13,17H,1-4H3;3-13,15H,1-2H3;2*4-11,13H,1-3H3/t19-;17-;15-;2*13-/m00111/s1
InChIKeyLEMAPZABCMFQJK-DSLQINRTSA-N
MW1339.92 g/mol
LogP23.14
Rot. Bonds10

About bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole

bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole (PubChem CID 159326911) has the molecular formula C91H106N10 and a molecular weight of 1339.92 g/mol. Its IUPAC name is bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole.

Molecular Properties

Compound Namebis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole
PubChem CID159326911
Molecular FormulaC91H106N10
Molecular Weight1339.92 g/mol
Exact Mass1338.86
IUPAC Namebis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole
SMILESCc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@H]1C.Cc1ccccc1N1C=CN(c2c(C)cccc2C)[C@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C
InChIInChI=1S/C23H30N2.C19H22N2.C17H18N2.2C16H18N2/c1-16(2)20-11-9-12-21(17(3)4)23(20)25-15-14-24(19(25)6)22-13-8-7-10-18(22)5;1-14-8-5-6-11-18(14)20-12-13-21(17(20)4)19-15(2)9-7-10-16(19)3;1-14-8-6-7-11-17(14)19-13-12-18(15(19)2)16-9-4-3-5-10-16;2*1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18/h7-17,19H,1-6H3;5-13,17H,1-4H3;3-13,15H,1-2H3;2*4-11,13H,1-3H3/t19-;17-;15-;2*13-/m00111/s1
InChIKeyLEMAPZABCMFQJK-DSLQINRTSA-N
XLogP23.14
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.92
LogP ≤ 523.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole 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

bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 160784637
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole
CID 161439123
(2S)-5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole
CID 160733354
bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;methane;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazole
CID 159191916
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-benzimidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazole
CID 162090978
(2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 176756537
(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-benzimidazole;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazole;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-benzimidazole
CID 159026116
8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2-methyl-3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2-methyl-3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;8-[3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 162296556
(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;1-(2-methylphenyl)indazole
CID 158586610
1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;methane;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-benzimidazole
CID 162272157
5-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(2,2-dideuteriopropyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;5-ethyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole
CID 160683997
(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 161154499

Frequently Asked Questions

What is the IUPAC name of bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole?
The IUPAC name of bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole (CID 159326911) is bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole.
What is the SMILES notation for bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole?
The canonical SMILES for bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole is Cc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@H]1C.Cc1ccccc1N1C=CN(c2c(C)cccc2C)[C@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C.
What is the InChIKey of bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole?
The InChIKey is LEMAPZABCMFQJK-DSLQINRTSA-N. The full InChI is InChI=1S/C23H30N2.C19H22N2.C17H18N2.2C16H18N2/c1-16(2)20-11-9-12-21(17(3)4)23(20)25-15-14-24(19(25)6)22-13-8-7-10-18(22)5;1-14-8-5-6-11-18(14)20-12-13-21(17(20)4)19-15(2)9-7-10-16(19)3;1-14-8-6-7-11-17(14)19-13-12-18(15(19)2)16-9-4-3-5-10-16;2*1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18/h7-17,19H,1-6H3;5-13,17H,1-4H3;3-13,15H,1-2H3;2*4-11,13H,1-3H3/t19-;17-;15-;2*13-/m00111/s1.
What are the key properties of bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole?
bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole has a molecular weight of 1339.92 g/mol, XLogP of 23.14, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2R)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole is sourced from PubChem (CID 159326911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).