5-Hydroxymebendazole

CAT: 0127-BUP21279-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21279-03Size:10 mg

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CAS Number

60254-95-7

Synonyms

MBZ-OH | R19167 | HMBZ | R-19167

MDL Number

MFCD01658391

Purity

=98%

Smiles

O=C(OC)NC1=NC=2C=CC(=CC2N1)C(O)C=3C=CC=CC3

Chemical Information

R 19167

5-Hydroxymebendazole is a member of benzimidazoles.

CAS Number	60254-95-7
PubChem CID	43242
IUPAC Name	methyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate
Molecular Formula	C16H15N3O3
Molecular Weight	297.31
XLogP	2.3
Topological Polar Surface Area	87.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	387

SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(C3=CC=CC=C3)O

InChI

InChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)

InChIKey

IIQKUGXEGMZCLE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60254-95-7

CID: 43242

Formula: C16H15N3O3

MW: 297.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.31
XLogP3	2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	297.11134135
Monoisotopic Mass	297.11134135
Topological Polar Surface Area	87.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	387
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC7318-01	5,5,5-Trifluoropentanonitrile
OR1058406-01	5,5',5'',5'''-Methanetetrayltetrakis (2-hydroxybenzaldehyde)
PC4455-01	5,5,5-Trifluoropentanoic acid
PC408108	Ethyl 5,5,5-trifluoropentanoate
OR1039438-01	5,5'-Carbonyldiisophthalicacid
OR1005246	5,5'-Bipyrimidine
OR17888	5,5-Dimethylhydantoin
OR1011759-01	5,5-Diphenylhydantoin
OR900845	5,5'-Dimethyldipyrromethane
PC7813-01	5,5,5-Trifluoro-DL-norvaline

Catalog	Name
BA2172-10	5-Hydroxymebendazole
HY-123305R	5-Hydroxymebendazole (Standard)
HY-123305S-01	5-Hydroxymebendazole-d3
sc-262725	5,5,5-Trifluorovaleronitrile
234404-01	5,5,5-Trifluoronorvaline
PDA86661	5,5,5-Trifluoropentanonitrile
JH238299	5,5,5-trifluoroleucine
AKA25347-01	5,5,5-Trifluoropentanal
TRC-F632600-2.5G	N-Fmoc-5,5,5,5',5',5'-Hexafluoro-L-leucine
459053	N-Fmoc-5,5,5,5',5',5'-Hexafluoro-L-leucine discontinued