Basic information
- CAS
220955-03-3- Standard SMILES
N=C(N)c1ccc2nc(-c3ccccc3O)[nH]c2c1- InChIKey
URJKRCBBKTXOHS-UHFFFAOYSA-N- Molecular formula
- C14H12N4O
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.10111102
Names & identifiers
- Preferred name
- Cra_1144
- IUPAC
- 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide
Names & synonyms
CRA_1144220955-03-32-(5-(amino(iminiumyl)methyl)-1H-1,3-benzodiazol-2-yl)benzen-1-olate2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2-yl}benzen-1-olateRefChem:128370CHEMBL4335012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATEAC1OARPH1ghw1gi11gi41gi8
Show more names
1o2sSCHEMBL4315225SCHEMBL4992404SCHEMBL30583190DTXSID704255241p57BDBM50100897DB03643
Database identifiers
- CAS
220955-03-3- PubChem CID
- 1506
- DTXSID
DTXSID70425524- ChEMBL
CHEMBL433501- Nikkaji
- J1.556.031B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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