2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate

C23H26N2O2 — CID 68676617

About 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate

2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate (PubChem CID 68676617) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate.

Molecular Properties

• Compound Name: 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
• PubChem CID: 68676617
• Molecular Formula: C23H26N2O2
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.20
• IUPAC Name: 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
• SMILES: Cc1ccccc1CCOC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C
• InChI: InChI=1S/C23H26N2O2/c1-16-9-7-11-21(18(16)3)19(4)22-24-13-14-25(22)23(26)27-15-12-20-10-6-5-8-17(20)2/h5-11,13-14,19H,12,15H2,1-4H3/t19-/m0/s1
• InChIKey: PXDSHNLRQNQJMA-IBGZPJMESA-N
• XLogP: 5.19
• TPSA: 44.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.47
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate?

The IUPAC name of 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate (CID 68676617) is 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate.

What is the SMILES notation for 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate?

The canonical SMILES for 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate is Cc1ccccc1CCOC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C.

What is the InChIKey of 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate?

The InChIKey is PXDSHNLRQNQJMA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-9-7-11-21(18(16)3)19(4)22-24-13-14-25(22)23(26)27-15-12-20-10-6-5-8-17(20)2/h5-11,13-14,19H,12,15H2,1-4H3/t19-/m0/s1.

What are the key properties of 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate?

2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate is sourced from PubChem (CID 68676617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).