| CAS Number | 388574-61-6 |
| Catalog Number | AG00I7P3(AGN-PC-0NERL2) |
| Chemical Name | 2-Chloro-1-(4-methoxybenzyl)-1H-benzo[D]imidazole |
| IUPAC Name | 2-chloro-1-[(4-methoxyphenyl)methyl]benzimidazole |
| InChI | InChI=1S/C15H13ClN2O/c1-19-12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)17-15(18)16/h2-9H,10H2,1H3 |
| InChI Key | OYWPBUVWLRGAPQ-UHFFFAOYSA-N |
| MDL Number | MFCD09910414 |
| Molecular Formula | C15H13ClN2O |
| Molecular Weight | 272.7295 |
| SMILES | COC1=CC=C(CN2C(Cl)=NC3=C2C=CC=C3)C=C1 |
| Synonyms | 2-CHLORO-1-(4-METHOXYBENZYL)-1H-BENZO[D]IMIDAZOLE,
388574-61-6,
1-(4-methoxybenzyl)-2-chloro-1H-benzo[d]imidazole,
SCHEMBL1304130,
CTK7A3854,
OYWPBUVWLRGAPQ-UHFFFAOYSA-N,
5014AH,
AR3620,
MFCD09910414,
ZINC35287374,
AKOS022191187,
AS-45649,
DA-06241,
FT-0736767,
4-[(2-Chloro-1H-benzimidazol-1-yl)methyl]phenyl methyl ether, AldrichCPR,
C15H13ClN2O,
CID11033015,
2-chloro-1-[(4-methoxyphenyl)methyl]benzoimidazole,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.732g/mol |
| Monoisotopic Mass | 272.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number