tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone

C51H52N8O6 — CID 157476620

About tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone

tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone (PubChem CID 157476620) has the molecular formula C51H52N8O6 and a molecular weight of 873.03 g/mol. Its IUPAC name is tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone.

Molecular Properties

• Compound Name: tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone
• PubChem CID: 157476620
• Molecular Formula: C51H52N8O6
• Molecular Weight: 873.03 g/mol
• Exact Mass: 872.40
• IUPAC Name: tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone
• SMILES: Cc1cc(C(=O)c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)cn1.Cc1cc(C(=O)c2cc(-c3c(C)noc3C)cc3c2nc(C2CC2)n3C(=O)OC(C)(C)C)c(C)cn1
• InChI: InChI=1S/C28H30N4O4.C23H22N4O2/c1-14-13-29-15(2)10-20(14)25(33)21-11-19(23-16(3)31-36-17(23)4)12-22-24(21)30-26(18-8-9-18)32(22)27(34)35-28(5,6)7;1-11-10-24-12(2)7-17(11)22(28)18-8-16(20-13(3)27-29-14(20)4)9-19-21(18)26-23(25-19)15-5-6-15/h10-13,18H,8-9H2,1-7H3;7-10,15H,5-6H2,1-4H3,(H,25,26)
• InChIKey: BVRACYUFXNMJGN-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 184.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	873.03
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone?

The IUPAC name of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone (CID 157476620) is tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone.

What is the SMILES notation for tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone?

The canonical SMILES for tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone is Cc1cc(C(=O)c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)cn1.Cc1cc(C(=O)c2cc(-c3c(C)noc3C)cc3c2nc(C2CC2)n3C(=O)OC(C)(C)C)c(C)cn1.

What is the InChIKey of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone?

The InChIKey is BVRACYUFXNMJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4.C23H22N4O2/c1-14-13-29-15(2)10-20(14)25(33)21-11-19(23-16(3)31-36-17(23)4)12-22-24(21)30-26(18-8-9-18)32(22)27(34)35-28(5,6)7;1-11-10-24-12(2)7-17(11)22(28)18-8-16(20-13(3)27-29-14(20)4)9-19-21(18)26-23(25-19)15-5-6-15/h10-13,18H,8-9H2,1-7H3;7-10,15H,5-6H2,1-4H3,(H,25,26).

What are the key properties of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone?

tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone has a molecular weight of 873.03 g/mol, XLogP of 11.17, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,5-dimethylpyridine-4-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone is sourced from PubChem (CID 157476620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).