| CAS Number | 1355247-12-9 |
| Catalog Number | AG009WSY(AGN-PC-0J2C42) |
| Chemical Name | Methyl 1-cyclohexylbenzoimidazole-5-carboxylate |
| IUPAC Name | methyl 1-cyclohexylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C15H18N2O2/c1-19-15(18)11-7-8-14-13(9-11)16-10-17(14)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3 |
| InChI Key | LZXUUVNLKVFJQF-UHFFFAOYSA-N |
| MDL Number | MFCD18252272 |
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.3156 |
| SMILES | COC(=O)c1ccc2c(c1)ncn2C1CCCCC1 |
| Synonyms | 1355247-12-9,
Methyl 1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylate,
Methyl 1-cyclohexylbenzoimidazole-5-carboxylate,
ACMC-209c1j,
Methyl 1-cyclohexyl-1H-benzimidazole-5-carboxylate,
CTK8B0373,
DTXSID40742750,
ANW-19877,
MFCD18252272,
ZINC85210117,
AKOS016008431,
AJ-126434,
AX8243203,
TC-108622,
Z9960,
Methyl 1-phenylbenzoimidazole-5-carboxylate,
C15H18N2O2,
Methyl1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylate,
220495-70-5,
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| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.321g/mol |
| Monoisotopic Mass | 258.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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