Basic information
- CAS
435342-05-5- Standard SMILES
C=CCn1c(=N)n(CC(=O)O)c2ccccc21- InChIKey
JCKSQEDEFWVBRF-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid
- IUPAC
- 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetic acid
- English name
- (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid
- Molecular formula
- C12H13N3O2
- Molecular weight
- 231.25
Names & synonyms
435342-05-5(3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetic acid2-(3-Allyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetic acid[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-benzimidazol-1-yl]acetic acidOprea1_367705Oprea1_532355CHEMBL1617318DTXSID80963028HMS1609K20STK079499WAY-307104-A
Show more names
(3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-2-(3-Allyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetic acid hydrobromide
AKOS000301463EU-0003307ST50243899(3-allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)acetic acid2-(2-imino-3-prop-2-enyl-3-hydrobenzimidazolyl)acetic acid2-(3-Allyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)aceticacid[2-Imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzimidazol-1-yl]acetic acid[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid--hydrogen bromide (1/1)
Database identifiers
- CAS
435342-05-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Chemistry & industry
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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