rac-(4R,6R)-4-phenyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid

HCID 836629

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Basic information

CAS: 82523-08-8
Standard SMILES: O=C(O)[C@@H]1Cc2[nH]cnc2[C@H](c2ccccc2)N1
InChIKey: KFBHKNNDUHHZKT-QWRGUYRKSA-N
Molecular formula: C13H13N3O2
Average molar mass: 243.26 g/mol
Monoisotopic mass: 243.10077667

Names & identifiers

Preferred name: rac-(4R,6R)-4-phenyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
IUPAC: (4S,6S)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

Names & synonyms

82523-08-8rac-(4R,6R)-4-phenyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-4-phenyl-, (4R,6R)-rel-DTXSID501130504(4S,6S)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acidEN300-6494237rel-(4R,6R)-4,5,6,7-Tetrahydro-4-phenyl-3H-imidazo[4,5-c]pyridine-6-carboxylic acid

Database identifiers

CAS: 82523-08-8
PubChem CID: 836629
DTXSID: DTXSID501130504

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 78 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 317

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