| CAS Number | 189560-83-6 |
| Catalog Number | AG00I2SB(AGN-PC-009B5B) |
| Chemical Name | 2-(tert-Butoxycarbonylaminomethyl)benzimidazole |
| IUPAC Name | tert-butyl N-(1H-benzimidazol-2-ylmethyl)carbamate |
| InChI | InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)14-8-11-15-9-6-4-5-7-10(9)16-11/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | WRAOGDJKTDDORV-UHFFFAOYSA-N |
| MDL Number | MFCD18007689 |
| Molecular Formula | C13H17N3O2 |
| Molecular Weight | 247.2930 |
| SMILES | O=C(NCC2=NC1=CC=CC=C1N2)OC(C)(C)C |
| Synonyms | 189560-83-6,
tert-Butyl ((1H-benzo[d]imidazol-2-yl)methyl)carbamate,
tert-butyl N-(1H-1,3-benzodiazol-2-ylmethyl)carbamate,
(1H-Benzoimidazol-2-ylmethyl)-carbamic acid tert-butyl ester,
SCHEMBL6297783,
WRAOGDJKTDDORV-UHFFFAOYSA-N,
MFCD18007689,
ZINC54347644,
AKOS017480600,
tert-Butyl 1H-benzimidazol-2-ylmethylcarbamate,
A1-01088,
2-(tert-Butyloxycarbonylaminomethyl)-1H-benzoimidazole,
Ert-butyl ((1H-benzo[d]imidazol-2-yl)methyl)carbamate,
Carbamic acid, (1H-benzimidazol-2-ylmethyl)-, 1,1-dimethylethyl ester,
CID11448004,
tert-butyl (1H-benzimidazol-2-yl)methylcarbamate,
Tert-butyl N-(1H-benzoimidazol-2-ylmethyl)carbamate,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.298g/mol |
| Monoisotopic Mass | 247.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number