tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C50H50N8O6 — CID 158201232

About tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158201232) has the molecular formula C50H50N8O6 and a molecular weight of 859.00 g/mol. Its IUPAC name is tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158201232
• Molecular Formula: C50H50N8O6
• Molecular Weight: 859.00 g/mol
• Exact Mass: 858.39
• IUPAC Name: tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cc(C(=O)c2ccccn2)c2nc(C3CC3)n(C(=O)OC(C)(C)C)c2c1.Cc1noc(C)c1-c1cc(C(OC2CC2)c2ccccn2)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C26H26N4O4.C24H24N4O2/c1-14-21(15(2)34-29-14)17-12-18(23(31)19-8-6-7-11-27-19)22-20(13-17)30(24(28-22)16-9-10-16)25(32)33-26(3,4)5;1-13-21(14(2)30-28-13)16-11-18(22-20(12-16)26-24(27-22)15-6-7-15)23(29-17-8-9-17)19-5-3-4-10-25-19/h6-8,11-13,16H,9-10H2,1-5H3;3-5,10-12,15,17,23H,6-9H2,1-2H3,(H,26,27)
• InChIKey: GAYOEUGULDZAIS-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 176.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	859.00
LogP ≤ 5	10.97
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-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158201232) is tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(C(=O)c2ccccn2)c2nc(C3CC3)n(C(=O)OC(C)(C)C)c2c1.Cc1noc(C)c1-c1cc(C(OC2CC2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is GAYOEUGULDZAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4.C24H24N4O2/c1-14-21(15(2)34-29-14)17-12-18(23(31)19-8-6-7-11-27-19)22-20(13-17)30(24(28-22)16-9-10-16)25(32)33-26(3,4)5;1-13-21(14(2)30-28-13)16-11-18(22-20(12-16)26-24(27-22)15-6-7-15)23(29-17-8-9-17)19-5-3-4-10-25-19/h6-8,11-13,16H,9-10H2,1-5H3;3-5,10-12,15,17,23H,6-9H2,1-2H3,(H,26,27).

What are the key properties of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 859.00 g/mol, XLogP of 10.97, 10 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-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;4-[2-cyclopropyl-7-[cyclopropyloxy(pyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158201232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).