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Molecule record

3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid

C25H25N7O3

471.52 g/mol

Loading structure

Molecular properties

Formula
C25H25N7O3
Molar mass
471.52 g·mol−1
Exact mass
471.2019 Da
17
PubChem CID
216210

Functional groups

Alkane / alkyl carbon
Amide
Aromatic ring
Carboxylic acid
Primary amine
Secondary amine
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 211914-51-1
  • 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic acid
  • 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
  • 859-177-5
  • BIBR 953 ZW
  • BIBR-953
  • C25H25N7O3
  • CHEBI:70752
Show all 24 synonyms
  • CHEMBL48361
  • DTXCID4097910
  • DTXSID50175419
  • Dabigatran
  • Dabigatran (BIBR 953)
  • Etexilate Mesylate, Dabigatran
  • I0VM4M70GC
  • MFCD09837830
  • Mesylate, Dabigatran Etexilate
  • N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-beta-alanine
  • N-((2-((p-Amidinoanilino)methyl)-1-methyl-5-benzimidazolyl)carbonyl)-N-2-pyridyl-beta-alanine
  • N-[(2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-Methyl-1h-Benzimidazol-5-Yl)carbonyl]-N-Pyridin-2-Yl-Beta-Alanine
  • Pradaxa (dabigatran)
  • RefChem:54923
  • b-Alanine,N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-
  • beta-Alanine, N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-

Structure identifiers

Canonical SMILES
Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21
Isomeric SMILES
CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
InChIKey
YBSJFWOBGCMAKL-UHFFFAOYSA-N
PubChem CID
216210

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record