Mebendazole-amine

CAT: 0607-BA7351-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7351-1Size:1 mg

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CAS Number

52329-60-9

Molecular Formula

C14H11N3O

Molecular Weight

237.26

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Aminomebendazole

2-Amino-5-benzoylbenzimidazole is a member of benzophenones.

CAS Number	52329-60-9
PubChem CID	40320
IUPAC Name	(2-amino-3H-benzimidazol-5-yl)-phenylmethanone
Molecular Formula	C14H11N3O
Molecular Weight	237.26
XLogP	2.6
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	314

SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)N

InChI

InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)

InChIKey

GPMHHSJZGVOEFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52329-60-9

CID: 40320

Formula: C14H11N3O

MW: 237.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	237.26
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	237.090211983
Monoisotopic Mass	237.090211983
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	314
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