1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfanyl]-6-pyrrol-1-yl-1H-benzimidazole

2.1.2 InChI

InChI=1S/C19H18N4OS/c1-13-17(20-8-7-18(13)24-2)12-25-19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)

2.1.3 InChI Key

TZNQIYXOVOTIKQ-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

352TU5SA7B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 172152-35-1

2. Desoxy Ilaprazole

3. Desoxyilaprazole

4. Ilaprazole Sulfide M12

5. 352tu5sa7b

6. Unii-352tu5sa7b

7. 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-6-(1h-pyrrol-1-yl)-1h-benzo[d]imidazole

8. 1h-benzimidazole, 2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)thio)-6-(1h-pyrrol-1-yl)-

9. 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfanyl]-6-pyrrol-1-yl-1h-benzimidazole

10. Schembl2385445

11. Xga15235

12. Mfcd30609528

13. As-82602

14. E77665

15. 2-{[(4-methoxy-3-methylpyridin-2-yl)methyl]sulfanyl}-5-(pyrrol-1-yl)-1h-1,3-benzodiazole

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₈N₄OS
Molecular Weight	350.4 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	81
Heavy Atom Count	25
Formal Charge	0
Complexity	434
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

2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]thio]-6-(1H-pyrrol-1-yl)-1H-benzimidazole