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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate

C79H77N13O12 — CID 157052588

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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate (PubChem CID 157052588) has the molecular formula C79H77N13O12 and a molecular weight of 1400.56 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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate
• PubChem CID: 157052588
• Molecular Formula: C79H77N13O12
• Molecular Weight: 1400.56 g/mol
• Exact Mass: 1399.58
• 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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate
• SMILES: 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)n2Cc1ccccc1.COC(=O)c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(Cc3ccccc3)c12
• InChI: InChI=1S/2C24H23N3O3.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;1-8-14(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;6-7,10H,4-5H2,1-3H3,(H,18,19);4-5H,1-3H3,(H3,15,16,17)
• InChIKey: AAJPOGRMUKSGPZ-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 328.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1400.56
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate (CID 157052588) 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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate is 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)n2Cc1ccccc1.COC(=O)c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(Cc3ccccc3)c12.

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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate?

The InChIKey is AAJPOGRMUKSGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23N3O3.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;1-8-14(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;6-7,10H,4-5H2,1-3H3,(H,18,19);4-5H,1-3H3,(H3,15,16,17).

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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate has a molecular weight of 1400.56 g/mol, XLogP of 15.74, 15 rotatable bonds, 3 hydrogen bond donors, and 23 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)benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 157052588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).