(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole

C87H103N15 — CID 159888722

About (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole

(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole (PubChem CID 159888722) has the molecular formula C87H103N15 and a molecular weight of 1358.89 g/mol. Its IUPAC name is (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole.

Molecular Properties

• Compound Name: (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole
• PubChem CID: 159888722
• Molecular Formula: C87H103N15
• Molecular Weight: 1358.89 g/mol
• Exact Mass: 1357.85
• IUPAC Name: (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole
• SMILES: [C-]#[N+]C1=CN(C)[C@H](C)N1c1c(C)c(C)c(C)c(C)c1C.[C-]#[N+]C1=CN(C)[C@H](C)N1c1c(C)c(C)cc(C)c1C.[C-]#[N+]C1=CN(C)[C@H](C)N1c1c(C)cc(C)c(C)c1C.[C-]#[N+]C1=CN(C)[C@H](C)N1c1cc(-c2ccccc2)ccc1C.[C-]#[N+]C1=CN(C)[C@H](C)N1c1ccc(-c2ccccc2)cc1C
• InChI: InChI=1S/2C19H19N3.C17H23N3.2C16H21N3/c1-14-12-17(16-8-6-5-7-9-16)10-11-18(14)22-15(2)21(4)13-19(22)20-3;1-14-10-11-17(16-8-6-5-7-9-16)12-18(14)22-15(2)21(4)13-19(22)20-3;1-10-11(2)13(4)17(14(5)12(10)3)20-15(6)19(8)9-16(20)18-7;1-10-8-11(2)16(13(4)12(10)3)19-14(5)18(7)9-15(19)17-6;1-10-8-11(2)13(4)16(12(10)3)19-14(5)18(7)9-15(19)17-6/h2*5-13,15H,1-2,4H3;9,15H,1-6,8H3;2*8-9,14H,1-5,7H3/t3*15-;2*14-/m00000/s1
• InChIKey: NULWXPLQJCHTKR-LFJGUGNUSA-N
• XLogP: 20.47
• TPSA: 54.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1358.89
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole?

The IUPAC name of (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole (CID 159888722) is (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole.

What is the SMILES notation for (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole?

The canonical SMILES for (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole is [C-]#[N+]C1=CN(C)[C@H](C)N1c1c(C)c(C)c(C)c(C)c1C.[C-]#[N+]C1=CN(C)[C@H](C)N1c1c(C)c(C)cc(C)c1C.[C-]#[N+]C1=CN(C)[C@H](C)N1c1c(C)cc(C)c(C)c1C.[C-]#[N+]C1=CN(C)[C@H](C)N1c1cc(-c2ccccc2)ccc1C.[C-]#[N+]C1=CN(C)[C@H](C)N1c1ccc(-c2ccccc2)cc1C.

What is the InChIKey of (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole?

The InChIKey is NULWXPLQJCHTKR-LFJGUGNUSA-N. The full InChI is InChI=1S/2C19H19N3.C17H23N3.2C16H21N3/c1-14-12-17(16-8-6-5-7-9-16)10-11-18(14)22-15(2)21(4)13-19(22)20-3;1-14-10-11-17(16-8-6-5-7-9-16)12-18(14)22-15(2)21(4)13-19(22)20-3;1-10-11(2)13(4)17(14(5)12(10)3)20-15(6)19(8)9-16(20)18-7;1-10-8-11(2)16(13(4)12(10)3)19-14(5)18(7)9-15(19)17-6;1-10-8-11(2)13(4)16(12(10)3)19-14(5)18(7)9-15(19)17-6/h2*5-13,15H,1-2,4H3;9,15H,1-6,8H3;2*8-9,14H,1-5,7H3/t3*15-;2*14-/m00000/s1.

What are the key properties of (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole?

(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole has a molecular weight of 1358.89 g/mol, XLogP of 20.47, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole is sourced from PubChem (CID 159888722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).