| CAS Number | 571155-14-1 |
| Catalog Number | AG019I94 |
| Chemical Name | 2-(4-butylcyclohexyl)-1H-1,3-benzodiazole |
| IUPAC Name | 2-(4-butylcyclohexyl)-1H-benzimidazole |
| InChI | InChI=1S/C17H24N2/c1-2-3-6-13-9-11-14(12-10-13)17-18-15-7-4-5-8-16(15)19-17/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H,18,19) |
| InChI Key | WYKWPBSQOOZOLI-UHFFFAOYSA-N |
| MDL Number | MFCD03985220 |
| Molecular Formula | C17H24N2 |
| Molecular Weight | 256.3859 |
| SMILES | CCCCC1CCC(C2NC3=C(C=CC=C3)N=2)CC1 |
| Synonyms | 2-(4-butylcyclohexyl)-1H-1,3-benzodiazole,
571155-14-1,
AC1M7DJ0,
ZINC12971014,
AKOS008966886,
MCULE-8752802318,
2-(4-butylcyclohexyl)-1H-benzimidazole,
NCGC00321588-01,
AB01317163-02,
Z56915951,
CID2440123,
2-(4-butylcyclohexyl)-1H-benzoimidazole,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.393g/mol |
| Monoisotopic Mass | 256.194g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number