(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

C93H104N10 — CID 161439123

IUPAC(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
SMILESCc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(c2c(C(C)C)cccc2C(C)C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(c2ccccc2)[C@@H]1C
InChIInChI=1S/C27H32N2.C21H20N2.C17H18N2.C16H18N2.C12H16N2/c1-18(2)22-13-11-14-23(19(3)4)27(22)29-21(6)28(24-15-8-7-12-20(24)5)25-16-9-10-17-26(25)29;1-16-10-6-7-13-19(16)23-17(2)22(18-11-4-3-5-12-18)20-14-8-9-15-21(20)23;1-14-8-6-7-11-17(14)19-13-12-18(15(19)2)16-9-4-3-5-10-16;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h7-19,21H,1-6H3;3-15,17H,1-2H3;3-13,15H,1-2H3;4-11,13H,1-3H3;4-9,11H,1-3H3/t21-;17-;15-;13-;11-/m10000/s1
InChIKeyVZAPPAMANHRLSJ-DRZDXAPOSA-N
MW1361.92 g/mol
LogP24.14
Rot. Bonds10

About (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

(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 (PubChem CID 161439123) has the molecular formula C93H104N10 and a molecular weight of 1361.92 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161439123
Molecular FormulaC93H104N10
Molecular Weight1361.92 g/mol
Exact Mass1360.84
IUPAC Name(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
SMILESCc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(c2c(C(C)C)cccc2C(C)C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(c2ccccc2)[C@@H]1C
InChIInChI=1S/C27H32N2.C21H20N2.C17H18N2.C16H18N2.C12H16N2/c1-18(2)22-13-11-14-23(19(3)4)27(22)29-21(6)28(24-15-8-7-12-20(24)5)25-16-9-10-17-26(25)29;1-16-10-6-7-13-19(16)23-17(2)22(18-11-4-3-5-12-18)20-14-8-9-15-21(20)23;1-14-8-6-7-11-17(14)19-13-12-18(15(19)2)16-9-4-3-5-10-16;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h7-19,21H,1-6H3;3-15,17H,1-2H3;3-13,15H,1-2H3;4-11,13H,1-3H3;4-9,11H,1-3H3/t21-;17-;15-;13-;11-/m10000/s1
InChIKeyVZAPPAMANHRLSJ-DRZDXAPOSA-N
XLogP24.14
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001361.92
LogP ≤ 524.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

(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);(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
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;(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
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
1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;2-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazole
CID 162296637
(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
(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
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
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;ethane
CID 158803823
(2R)-3-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,2,4-trimethyl-2H-imidazole;(2S)-1,2-dimethyl-3-[2-methyl-3-[(2R)-2-methyl-3-phenyl-2H-imidazol-1-yl]phenyl]-2H-imidazole;(2R)-1,2-dimethyl-3-[2-methyl-3-[(2S)-2-methyl-3-propan-2-yl-2H-imidazol-1-yl]phenyl]-2H-imidazole;(2R)-1,2,4,5-tetramethyl-3-[2-methyl-3-[(2S)-2,3,4,5-tetramethyl-2H-imidazol-1-yl]phenyl]-2H-imidazole;(2R)-2,3,4-trimethyl-1-[2-methyl-3-[(2S)-2,3,4-trimethyl-2H-imidazol-1-yl]phenyl]-2H-imidazole
CID 158996415

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(c2c(C(C)C)cccc2C(C)C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(c2ccccc2)[C@@H]1C.
What is the InChIKey of (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?
The InChIKey is VZAPPAMANHRLSJ-DRZDXAPOSA-N. The full InChI is InChI=1S/C27H32N2.C21H20N2.C17H18N2.C16H18N2.C12H16N2/c1-18(2)22-13-11-14-23(19(3)4)27(22)29-21(6)28(24-15-8-7-12-20(24)5)25-16-9-10-17-26(25)29;1-16-10-6-7-13-19(16)23-17(2)22(18-11-4-3-5-12-18)20-14-8-9-15-21(20)23;1-14-8-6-7-11-17(14)19-13-12-18(15(19)2)16-9-4-3-5-10-16;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h7-19,21H,1-6H3;3-15,17H,1-2H3;3-13,15H,1-2H3;4-11,13H,1-3H3;4-9,11H,1-3H3/t21-;17-;15-;13-;11-/m10000/s1.
What are the key properties of (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?
(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 has a molecular weight of 1361.92 g/mol, XLogP of 24.14, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161439123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).