N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate

C70H79IN14O8S — CID 159742802

About N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate

N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate (PubChem CID 159742802) has the molecular formula C70H79IN14O8S and a molecular weight of 1403.46 g/mol. Its IUPAC name is N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate.

Molecular Properties

• Compound Name: N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate
• PubChem CID: 159742802
• Molecular Formula: C70H79IN14O8S
• Molecular Weight: 1403.46 g/mol
• Exact Mass: 1402.50
• IUPAC Name: N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate
• SMILES: C.COC(=O)c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(C)c12.Cc1noc(C)c1-c1cc(C)c2nc(NS(=O)(=O)C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(I)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(NC2CCCC2)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C20H24N4O.C18H19N3O3.C16H18N4O3S.C15H14IN3O.CH4/c1-11-18(12(2)25-24-11)14-9-16(21-15-5-3-4-6-15)19-17(10-14)22-20(23-19)13-7-8-13;1-9-15(10(2)24-20-9)12-7-13(18(22)23-4)16-14(8-12)19-17(21(16)3)11-5-6-11;1-8-6-11(14-9(2)19-23-10(14)3)7-13-15(8)18-16(17-13)20-24(21,22)12-4-5-12;1-7-13(8(2)20-19-7)10-5-11(16)14-12(6-10)17-15(18-14)9-3-4-9;/h9-10,13,15,21H,3-8H2,1-2H3,(H,22,23);7-8,11H,5-6H2,1-4H3;6-7,12H,4-5H2,1-3H3,(H2,17,18,20);5-6,9H,3-4H2,1-2H3,(H,17,18);1H4
• InChIKey: NCRBDJSTZKJDNS-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 292.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1403.46
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate?

The IUPAC name of N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate (CID 159742802) is N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate.

What is the SMILES notation for N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate?

The canonical SMILES for N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate is C.COC(=O)c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(C)c12.Cc1noc(C)c1-c1cc(C)c2nc(NS(=O)(=O)C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(I)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(NC2CCCC2)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate?

The InChIKey is NCRBDJSTZKJDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.C18H19N3O3.C16H18N4O3S.C15H14IN3O.CH4/c1-11-18(12(2)25-24-11)14-9-16(21-15-5-3-4-6-15)19-17(10-14)22-20(23-19)13-7-8-13;1-9-15(10(2)24-20-9)12-7-13(18(22)23-4)16-14(8-12)19-17(21(16)3)11-5-6-11;1-8-6-11(14-9(2)19-23-10(14)3)7-13-15(8)18-16(17-13)20-24(21,22)12-4-5-12;1-7-13(8(2)20-19-7)10-5-11(16)14-12(6-10)17-15(18-14)9-3-4-9;/h9-10,13,15,21H,3-8H2,1-2H3,(H,22,23);7-8,11H,5-6H2,1-4H3;6-7,12H,4-5H2,1-3H3,(H2,17,18,20);5-6,9H,3-4H2,1-2H3,(H,17,18);1H4.

What are the key properties of N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate?

N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate has a molecular weight of 1403.46 g/mol, XLogP of 16.58, 13 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-amine;4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;methane;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzimidazole-4-carboxylate is sourced from PubChem (CID 159742802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).