Mebendazole

CAT: 0926-FM25020-02Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-FM25020-02Size:0.25 kg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

31431-39-7

Synonyms

N- (6-Benzoyl-1H-benzimidazol-2-yl) carbamic acid methyl ester;5-Benzoyl-2-benzimidazolecarbamic acid methyl ester; Bantenol

MDL Number

MFCD00057872

Smiles

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

Molecular Formula

C16H13N3O3

Molecular Weight

295.29 g/mol

Controlled

Chemical Information

Mebendazole

Mebendazole can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	31431-39-7
PubChem CID	4030
IUPAC Name	methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
Molecular Formula	C16H13N3O3
Molecular Weight	295.29
XLogP	2.8
Topological Polar Surface Area	84.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	423

SMILES

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

InChI

InChI=1S/C16H13N3O3/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/h2-9H,1H3,(H2,17,18,19,21)

InChIKey

OPXLLQIJSORQAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31431-39-7

CID: 4030

Formula: C16H13N3O3

MW: 295.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.29
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	295.09569129
Monoisotopic Mass	295.09569129
Topological Polar Surface Area	84.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	423
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
Compound Is Canonicalized	Yes

Catalog	Name
318175	Mebendazole