1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole

C82H122N18 — CID 159396796

About 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole

1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole (PubChem CID 159396796) has the molecular formula C82H122N18 and a molecular weight of 1360.00 g/mol. Its IUPAC name is 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole.

Molecular Properties

• Compound Name: 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole
• PubChem CID: 159396796
• Molecular Formula: C82H122N18
• Molecular Weight: 1360.00 g/mol
• Exact Mass: 1359.01
• IUPAC Name: 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole
• SMILES: CCCCCCCCCCCCCCCCCc1ncc[nH]1.CCCCCCCCCCCc1ncc[nH]1.CCc1ncc(C)[nH]1.CCc1ncc[nH]1.Cc1cnc(-c2ccccc2)[nH]1.Cc1ncc[nH]1.Cc1nccn1Cc1ccccc1.c1c[nH]cn1.c1ccc(-c2ncc[nH]2)cc1
• InChI: InChI=1S/C20H38N2.C14H26N2.C11H12N2.C10H10N2.C9H8N2.C6H10N2.C5H8N2.C4H6N2.C3H4N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-10-12-7-8-13(10)9-11-5-3-2-4-6-11;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-3-6-7-4-5(2)8-6;1-2-5-6-3-4-7-5;1-4-5-2-3-6-4;1-2-5-3-4-1/h18-19H,2-17H2,1H3,(H,21,22);12-13H,2-11H2,1H3,(H,15,16);2-8H,9H2,1H3;2-7H,1H3,(H,11,12);1-7H,(H,10,11);4H,3H2,1-2H3,(H,7,8);3-4H,2H2,1H3,(H,6,7);2-3H,1H3,(H,5,6);1-3H,(H,4,5)
• InChIKey: LMVCAVULZWLUJQ-UHFFFAOYSA-N
• XLogP: 21.39
• TPSA: 247.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 32
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1360.00
LogP ≤ 5	21.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?

The IUPAC name of 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole (CID 159396796) is 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole.

What is the SMILES notation for 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?

The canonical SMILES for 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole is CCCCCCCCCCCCCCCCCc1ncc[nH]1.CCCCCCCCCCCc1ncc[nH]1.CCc1ncc(C)[nH]1.CCc1ncc[nH]1.Cc1cnc(-c2ccccc2)[nH]1.Cc1ncc[nH]1.Cc1nccn1Cc1ccccc1.c1c[nH]cn1.c1ccc(-c2ncc[nH]2)cc1.

What is the InChIKey of 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?

The InChIKey is LMVCAVULZWLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2.C14H26N2.C11H12N2.C10H10N2.C9H8N2.C6H10N2.C5H8N2.C4H6N2.C3H4N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-10-12-7-8-13(10)9-11-5-3-2-4-6-11;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-3-6-7-4-5(2)8-6;1-2-5-6-3-4-7-5;1-4-5-2-3-6-4;1-2-5-3-4-1/h18-19H,2-17H2,1H3,(H,21,22);12-13H,2-11H2,1H3,(H,15,16);2-8H,9H2,1H3;2-7H,1H3,(H,11,12);1-7H,(H,10,11);4H,3H2,1-2H3,(H,7,8);3-4H,2H2,1H3,(H,6,7);2-3H,1H3,(H,5,6);1-3H,(H,4,5).

What are the key properties of 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?

1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole has a molecular weight of 1360.00 g/mol, XLogP of 21.39, 32 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-methylimidazole;2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;2-heptadecyl-1H-imidazole;1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole is sourced from PubChem (CID 159396796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).