| CAS Number | 40608-76-2 |
| Catalog Number | AG00CM4R(AGN-PC-0OA5TH) |
| Chemical Name | 2-Benzyl-5-methoxy-1H-benzo[d]imidazole |
| IUPAC Name | 2-benzyl-6-methoxy-1H-benzimidazole |
| InChI | InChI=1S/C15H14N2O/c1-18-12-7-8-13-14(10-12)17-15(16-13)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17) |
| InChI Key | ZCDXPXLZBRYOEV-UHFFFAOYSA-N |
| MDL Number | MFCD10566591 |
| Molecular Formula | C15H14N2O |
| Molecular Weight | 238.2845 |
| SMILES | COC1=CC2=C(C=C1)N=C(CC3=CC=CC=C3)N2 |
| Synonyms | 2-BENZYL-5-METHOXY-1H-BENZO[D]IMIDAZOLE,
40608-76-2,
AK142330,
2-benzyl-6-methoxy-1H-benzimidazole,
SCHEMBL7916731,
2-benzyl-5-methoxybenzimidazole,
CHEMBL3770094,
DTXSID90621445,
ZCDXPXLZBRYOEV-UHFFFAOYSA-N,
KS-00000RW5,
MFCD10566591,
ZINC40169853,
AKOS002678215,
AB56355,
DS-7517,
SEL11174260,
AJ-101604,
AX8282189,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.29g/mol |
| Monoisotopic Mass | 238.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number