Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate
methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Also Known As: Pemoline-dione|Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate|methyl[1-(butylcarbamoyl)-1h-benzimidazol-2-yl]carbamate- 2-methyl-n-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide(1:1)|methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide|methyl N-[1-(butylcarbamoyl)benzoimidazol-2-yl]carbamate; 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide|N-Butyl-2-{[hydroxy(methoxy)methylidene]amino}-1H-1,3-benzimidazole-1-carboximidic acid--2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboximidic acid (1/1)|N-Butyl-2-{[hydroxy(methoxy)methylidene]amino}-1H-benzimidazole-1-carboximidic acid--2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboximidic acid (1/1)
| Molecular Formula | C26H31N5O5S |
|---|---|
| Molecular Weight | 525.2046 g/mol |
| LogP | 5.1924 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.2046 |
| Monoisotopic Mass | 525.2046 |
| Heavy Atoms | 37 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 6491-20-9 |
|---|---|
| SMILES | CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC.CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 |
| InChIKey | IJJGMLZDZDDKAQ-UHFFFAOYSA-N |
Product Overview
Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate (CAS 6491-20-9), with molecular formula C26H31N5O5S and molecular weight 525.2046 g/mol. IUPAC: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.