(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

C114H130N12 — CID 160733354

IUPAC(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
SMILESCc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2cc(C(C)(C)C)ccc2N(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(c2ccccc2)[C@@H]1C
InChIInChI=1S/C25H28N2.C23H30N2.C21H20N2.C17H18N2.C16H18N2.C12H16N2/c1-18-11-9-10-14-22(18)27-19(2)26(21-12-7-6-8-13-21)23-16-15-20(17-24(23)27)25(3,4)5;1-16(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;1-16-10-6-7-13-19(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/h6-17,19H,1-5H3;7-17,19H,1-6H3;3-15,17H,1-2H3;3-13,15H,1-2H3;4-11,13H,1-3H3;4-9,11H,1-3H3/t2*19-;17-;15-;13-;11-/m010000/s1
InChIKeyRUQBJYTVCRFUBO-WDTACOBDSA-N
MW1668.38 g/mol
LogP29.58
Rot. Bonds12

About (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

(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 (PubChem CID 160733354) has the molecular formula C114H130N12 and a molecular weight of 1668.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160733354
Molecular FormulaC114H130N12
Molecular Weight1668.38 g/mol
Exact Mass1667.05
IUPAC Name(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
SMILESCc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2cc(C(C)(C)C)ccc2N(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(c2ccccc2)[C@@H]1C
InChIInChI=1S/C25H28N2.C23H30N2.C21H20N2.C17H18N2.C16H18N2.C12H16N2/c1-18-11-9-10-14-22(18)27-19(2)26(21-12-7-6-8-13-21)23-16-15-20(17-24(23)27)25(3,4)5;1-16(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;1-16-10-6-7-13-19(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/h6-17,19H,1-5H3;7-17,19H,1-6H3;3-15,17H,1-2H3;3-13,15H,1-2H3;4-11,13H,1-3H3;4-9,11H,1-3H3/t2*19-;17-;15-;13-;11-/m010000/s1
InChIKeyRUQBJYTVCRFUBO-WDTACOBDSA-N
XLogP29.58
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.38
LogP ≤ 529.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2cc(C(C)(C)C)ccc2N(c2ccccc2)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(c2ccccc2)[C@@H]1C.
What is the InChIKey of (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?
The InChIKey is RUQBJYTVCRFUBO-WDTACOBDSA-N. The full InChI is InChI=1S/C25H28N2.C23H30N2.C21H20N2.C17H18N2.C16H18N2.C12H16N2/c1-18-11-9-10-14-22(18)27-19(2)26(21-12-7-6-8-13-21)23-16-15-20(17-24(23)27)25(3,4)5;1-16(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;1-16-10-6-7-13-19(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/h6-17,19H,1-5H3;7-17,19H,1-6H3;3-15,17H,1-2H3;3-13,15H,1-2H3;4-11,13H,1-3H3;4-9,11H,1-3H3/t2*19-;17-;15-;13-;11-/m010000/s1.
What are the key properties of (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?
(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 has a molecular weight of 1668.38 g/mol, XLogP of 29.58, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160733354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).