tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane

C51H56N10O6 — CID 158397729

About tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane

tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane (PubChem CID 158397729) has the molecular formula C51H56N10O6 and a molecular weight of 905.07 g/mol. Its IUPAC name is tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane.

Molecular Properties

• Compound Name: tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane
• PubChem CID: 158397729
• Molecular Formula: C51H56N10O6
• Molecular Weight: 905.07 g/mol
• Exact Mass: 904.44
• IUPAC Name: tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane
• SMILES: C.Cc1noc(C)c1-c1cc(C(=O)c2ncccn2)c2nc(C3CC3)n(C(=O)OC(C)(C)C)c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ncccn2)C2CCCC2)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C25H25N5O4.C25H27N5O2.CH4/c1-13-19(14(2)34-29-13)16-11-17(21(31)22-26-9-6-10-27-22)20-18(12-16)30(23(28-20)15-7-8-15)24(32)33-25(3,4)5;1-14-21(15(2)32-30-14)17-12-19(22-20(13-17)28-23(29-22)16-8-9-16)25(31,18-6-3-4-7-18)24-26-10-5-11-27-24;/h6,9-12,15H,7-8H2,1-5H3;5,10-13,16,18,31H,3-4,6-9H2,1-2H3,(H,28,29);1H4
• InChIKey: GXSJEHARTCHFIC-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 213.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	905.07
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane?

The IUPAC name of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane (CID 158397729) is tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane.

What is the SMILES notation for tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane?

The canonical SMILES for tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane is C.Cc1noc(C)c1-c1cc(C(=O)c2ncccn2)c2nc(C3CC3)n(C(=O)OC(C)(C)C)c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ncccn2)C2CCCC2)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane?

The InChIKey is GXSJEHARTCHFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4.C25H27N5O2.CH4/c1-13-19(14(2)34-29-13)16-11-17(21(31)22-26-9-6-10-27-22)20-18(12-16)30(23(28-20)15-7-8-15)24(32)33-25(3,4)5;1-14-21(15(2)32-30-14)17-12-19(22-20(13-17)28-23(29-22)16-8-9-16)25(31,18-6-3-4-7-18)24-26-10-5-11-27-24;/h6,9-12,15H,7-8H2,1-5H3;5,10-13,16,18,31H,3-4,6-9H2,1-2H3,(H,28,29);1H4.

What are the key properties of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane?

tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane has a molecular weight of 905.07 g/mol, XLogP of 10.55, 9 rotatable bonds, 2 hydrogen bond donors, and 15 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-(pyrimidine-2-carbonyl)benzimidazole-1-carboxylate;cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrimidin-2-ylmethanol;methane is sourced from PubChem (CID 158397729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).