1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-benzyl-7-hydroxy-N,N,2-trimethylbenzimidazole-5-carboxamide

2.1.2 InChI

InChI=1S/C18H19N3O2/c1-12-19-17-15(21(12)11-13-7-5-4-6-8-13)9-14(10-16(17)22)18(23)20(2)3/h4-10,22H,11H2,1-3H3

2.1.3 InChI Key

DSXQCRAMTMAFGC-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

ZNX65LED6C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (none)

2.3.2 Depositor-Supplied Synonyms

1. 1640981-20-9

2. Znx65led6c

3. Schembl16372154

4. Xh0001

5. 4-hydroxy-n,n,2-trimethyl-1-(phenylmethyl)-1h-benzimidazole-6-carboxamide

6. Sy468175

7. Ds-021485

8. G79914

9. 3-benzyl-7-hydroxy-n,n,2-trimethylbenzimidazole-5-carboxamide

10. 1h-benzimidazole-6-carboxamide, 4-hydroxy-n,n,2-trimethyl-1-(phenylmethyl)-

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₉N₃O₂
Molecular Weight	309.4 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	58.4
Heavy Atom Count	23
Formal Charge	0
Complexity	422
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 1640981-20-9