methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate

C97H97N16O15+ — CID 158111242

About methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate

methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate (PubChem CID 158111242) has the molecular formula C97H97N16O15+ and a molecular weight of 1726.94 g/mol. Its IUPAC name is methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate
• PubChem CID: 158111242
• Molecular Formula: C97H97N16O15+
• Molecular Weight: 1726.94 g/mol
• Exact Mass: 1725.73
• IUPAC Name: methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate
• SMILES: COC(=O)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)[n+](Cc3ccccc3)c12.COC(=O)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.COC(=O)c1cc(-c2c(C)noc2C)cc2[nH]c(N)nc12.COC(=O)c1cc(-c2c(C)noc2C)cc2c1nc(C1CC1)n2C.COC(=O)c1cc(-c2c(C)noc2C)cc2c1nc(C1CC1)n2Cc1ccccc1
• InChI: InChI=1S/2C24H23N3O3.C18H19N3O3.C17H17N3O3.C14H14N4O3/c1-14-21(15(2)30-26-14)18-11-19(24(28)29-3)22-20(12-18)27(23(25-22)17-9-10-17)13-16-7-5-4-6-8-16;1-14-21(15(2)30-26-14)18-11-19(24(28)29-3)22-20(12-18)25-23(17-9-10-17)27(22)13-16-7-5-4-6-8-16;1-9-15(10(2)24-20-9)12-7-13(18(22)23-4)16-14(8-12)21(3)17(19-16)11-5-6-11;1-8-14(9(2)23-20-8)11-6-12(17(21)22-3)15-13(7-11)18-16(19-15)10-4-5-10;1-6-11(7(2)21-18-6)8-4-9(13(19)20-3)12-10(5-8)16-14(15)17-12/h2*4-8,11-12,17H,9-10,13H2,1-3H3;7-8,11H,5-6H2,1-4H3;6-7,10H,4-5H2,1-3H3,(H,18,19);4-5H,1-3H3,(H3,15,16,17)/p+1
• InChIKey: CELXJFYLPYIBOR-UHFFFAOYSA-O
• XLogP: 18.67
• TPSA: 400.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1726.94
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate?

The IUPAC name of methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate (CID 158111242) is methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate.

What is the SMILES notation for methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate?

The canonical SMILES for methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate is COC(=O)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)[n+](Cc3ccccc3)c12.COC(=O)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.COC(=O)c1cc(-c2c(C)noc2C)cc2[nH]c(N)nc12.COC(=O)c1cc(-c2c(C)noc2C)cc2c1nc(C1CC1)n2C.COC(=O)c1cc(-c2c(C)noc2C)cc2c1nc(C1CC1)n2Cc1ccccc1.

What is the InChIKey of methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate?

The InChIKey is CELXJFYLPYIBOR-UHFFFAOYSA-O. The full InChI is InChI=1S/2C24H23N3O3.C18H19N3O3.C17H17N3O3.C14H14N4O3/c1-14-21(15(2)30-26-14)18-11-19(24(28)29-3)22-20(12-18)27(23(25-22)17-9-10-17)13-16-7-5-4-6-8-16;1-14-21(15(2)30-26-14)18-11-19(24(28)29-3)22-20(12-18)25-23(17-9-10-17)27(22)13-16-7-5-4-6-8-16;1-9-15(10(2)24-20-9)12-7-13(18(22)23-4)16-14(8-12)21(3)17(19-16)11-5-6-11;1-8-14(9(2)23-20-8)11-6-12(17(21)22-3)15-13(7-11)18-16(19-15)10-4-5-10;1-6-11(7(2)21-18-6)8-4-9(13(19)20-3)12-10(5-8)16-14(15)17-12/h2*4-8,11-12,17H,9-10,13H2,1-3H3;7-8,11H,5-6H2,1-4H3;6-7,10H,4-5H2,1-3H3,(H,18,19);4-5H,1-3H3,(H3,15,16,17)/p+1.

What are the key properties of methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate?

methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate has a molecular weight of 1726.94 g/mol, XLogP of 18.67, 18 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate is sourced from PubChem (CID 158111242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).