ZEN-3411 100mg

CAT: 0628-A19349-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A19349-100Size:100 mg

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CAS Number

1952264-36-6

Chemical Information

6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[[4-(oxiran-2-yl)phenyl]methyl]benzimidazol-4-amine

CAS Number	1952264-36-6
PubChem CID	121414854
IUPAC Name	6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[4-(oxiran-2-yl)phenyl]methyl]benzimidazol-4-amine
Molecular Formula	C21H20N4O2
Molecular Weight	360.4
XLogP	2.7
Topological Polar Surface Area	82.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	526

SMILES

CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)N(C=N3)CC4=CC=C(C=C4)C5CO5)N

InChI

InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3

InChIKey

XINQCOMOQIYWTG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1952264-36-6

CID: 121414854

Formula: C21H20N4O2

MW: 360.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.4
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	360.15862589
Monoisotopic Mass	360.15862589
Topological Polar Surface Area	82.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	526
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