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Basic information
- Standard SMILES
Cl.Cn1c(COc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CC(=O)O)c3ccccc3)ccc21- InChIKey
DHLGWSJRHBPEEZ-UHFFFAOYSA-N- Molecular formula
- C25H24ClN5O4
- Average molar mass
- 493.9 g/mol
- Monoisotopic mass
- 493.151682
Names & identifiers
- Preferred name
- 1-Methyl-2-[(4-amidinophenyl)oxymethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(hydroxycarbonylmethyl)amide Hydrochloride
- IUPAC
- 2-(N-[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetic acid;hydrochloride
Names & synonyms
SCHEMBL6775562DHLGWSJRHBPEEZ-UHFFFAOYSA-N1-methyl-2-[(4-amidinophenyl)oxymethyl]-benzimidazol-5-yl-carboxylic acid-n-phenyl-n-(hydroxycarbonylmethyl)-amide-hydrochloride1-Methyl-2-[(4-amidinophenyl)oxymethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(hydroxycarbonylmethyl) amide hydrochloride1-Methyl-2-[(4-amidinophenyl)oxymethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(hydroxycarbonylmethyl)amide Hydrochloride
Database identifiers
- PubChem CID
- 18412349
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 735
Related reactions
4 records
Compound notes
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