(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

C73H86N10 — CID 162090978

IUPAC(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
SMILESCc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.[2H]C([2H])([2H])N1C=CN(c2ccccc2C)[C@H]1C.[2H]C([2H])([2H])N1c2ccccc2N(c2ccccc2C)[C@H]1C
InChIInChI=1S/C17H18N2.2C16H18N2.2C12H16N2/c1-14-8-6-7-11-17(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;2*1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h3-13,15H,1-2H3;2*4-11,13H,1-3H3;2*4-9,11H,1-3H3/t15-;2*13-;2*11-/m00000/s1/i;3D3;;3D3;
InChIKeyZDPIQLAPZBBTIP-YOOHENOQSA-N
MW1109.60 g/mol
LogP17.12
Rot. Bonds8

About (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

(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 (PubChem CID 162090978) has the molecular formula C73H86N10 and a molecular weight of 1109.60 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162090978
Molecular FormulaC73H86N10
Molecular Weight1109.60 g/mol
Exact Mass1108.74
IUPAC Name(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
SMILESCc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.[2H]C([2H])([2H])N1C=CN(c2ccccc2C)[C@H]1C.[2H]C([2H])([2H])N1c2ccccc2N(c2ccccc2C)[C@H]1C
InChIInChI=1S/C17H18N2.2C16H18N2.2C12H16N2/c1-14-8-6-7-11-17(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;2*1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h3-13,15H,1-2H3;2*4-11,13H,1-3H3;2*4-9,11H,1-3H3/t15-;2*13-;2*11-/m00000/s1/i;3D3;;3D3;
InChIKeyZDPIQLAPZBBTIP-YOOHENOQSA-N
XLogP17.12
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.60
LogP ≤ 517.12
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;(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 with MolForge

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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;(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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.[2H]C([2H])([2H])N1C=CN(c2ccccc2C)[C@H]1C.[2H]C([2H])([2H])N1c2ccccc2N(c2ccccc2C)[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;(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?
The InChIKey is ZDPIQLAPZBBTIP-YOOHENOQSA-N. The full InChI is InChI=1S/C17H18N2.2C16H18N2.2C12H16N2/c1-14-8-6-7-11-17(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;2*1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h3-13,15H,1-2H3;2*4-11,13H,1-3H3;2*4-9,11H,1-3H3/t15-;2*13-;2*11-/m00000/s1/i;3D3;;3D3;.
What are the key properties of (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?
(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 has a molecular weight of 1109.60 g/mol, XLogP of 17.12, 8 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;(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 is sourced from PubChem (CID 162090978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).