2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

C34H40Cl4N6O3 — CID 67053985

About 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide (PubChem CID 67053985) has the molecular formula C34H40Cl4N6O3 and a molecular weight of 722.54 g/mol. Its IUPAC name is 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide.

Molecular Properties

• Compound Name: 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
• PubChem CID: 67053985
• Molecular Formula: C34H40Cl4N6O3
• Molecular Weight: 722.54 g/mol
• Exact Mass: 720.19
• IUPAC Name: 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
• SMILES: CC(C)c1nc(-c2cccc3c2nc(Cl)n3C(C)C)oc1C(C)C.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1
• InChI: InChI=1S/C19H24ClN3O.C15H16Cl3N3O2/c1-10(2)15-17(11(3)4)24-18(21-15)13-8-7-9-14-16(13)22-19(20)23(14)12(5)6;1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h7-12H,1-6H3;3,5,8-10H,2,4,6-7H2,1H3
• InChIKey: FICNRNUWHBDLEG-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 91.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.54
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?

The IUPAC name of 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide (CID 67053985) is 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide.

What is the SMILES notation for 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?

The canonical SMILES for 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide is CC(C)c1nc(-c2cccc3c2nc(Cl)n3C(C)C)oc1C(C)C.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.

What is the InChIKey of 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?

The InChIKey is FICNRNUWHBDLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O.C15H16Cl3N3O2/c1-10(2)15-17(11(3)4)24-18(21-15)13-8-7-9-14-16(13)22-19(20)23(14)12(5)6;1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h7-12H,1-6H3;3,5,8-10H,2,4,6-7H2,1H3.

What are the key properties of 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?

2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide has a molecular weight of 722.54 g/mol, XLogP of 10.77, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 67053985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).