1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-benzyl-7-hydroxy-2-methylbenzimidazole-5-carboxylic acid

2.1.2 InChI

InChI=1S/C16H14N2O3/c1-10-17-15-13(7-12(16(20)21)8-14(15)19)18(10)9-11-5-3-2-4-6-11/h2-8,19H,9H2,1H3,(H,20,21)

2.1.3 InChI Key

LRVLIEIZJOKBQA-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

HAT6983VZ4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (none)

2.3.2 Depositor-Supplied Synonyms

1. 1640981-19-6

2. 1-benzyl-4-hydroxy-2-methyl-1h-1,3-benzodiazole-6-carboxylic Acid

3. Tegoprazan Impurity 3

4. Hat6983vz4

5. Schembl16372380

6. Mfcd31730915

7. Ac-30641

8. Sy468178

9. Ds-021484

10. H41920

11. 4-hydroxy-2-methyl-1-(phenylmethyl)-1h-benzimidazole-6-carboxylic Acid

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄N₂O₃
Molecular Weight	282.29 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	75.4
Heavy Atom Count	21
Formal Charge	0
Complexity	384
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 1640981-19-6