Basic information
- CAS
452088-72-1- Standard SMILES
COc1cccc(-n2c(C)nc3cc(C(=O)O)ccc32)c1- InChIKey
KOGPOZBIQYKOOX-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.10044231
Names & identifiers
- Preferred name
- 1-(3-methoxyphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid
- IUPAC
- 1-(3-methoxyphenyl)-2-methylbenzimidazole-5-carboxylic acid
- English name
- 1-(3-methoxyphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid
- Molecular formula
- C16H14N2O3
- Molecular weight
- 282.29
Names & synonyms
452088-72-11-(3-methoxyphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid1-(3-Methoxyphenyl)-2-methyl-1H-benzo[d]imidazole-5-carboxylic acid1-(3-methoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carboxylic acidSMR000132622Oprea1_520508MLS000522214CHEMBL13251651-(3-methoxyphenyl)-2-methylbenzimidazole-5-carboxylic acidDTXSID401176208HMS1796C01HMS2473K19
Show more names
1-(3-methoxyphenyl)-2-methyl-5-benzimidazolecarboxylic acid1-(3-methoxyphenyl)-2-methyl-benzimidazole-5-carboxylic acid
ALBB-007340AKOS000265166NCGC00098444-01EU-0070814SR-01000095888SR-01000095888-1R153-01571-(3-Methoxyphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid, AldrichCPR
Database identifiers
- CAS
452088-72-1- PubChem CID
- 4516609
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 538.8 · 538.8±56.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 2.86 · 2.86±0.30(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
浙江皓格药业有限公司0573-88133976-8014 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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