2002-G12

CAT: 0926-NMA66693-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-NMA66693-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

313666-93-2

MDL Number

MFCD00689588

Smiles

C1=CC=C (C (=C1) C2=NC3=C (N2) C=C (C=C3) N) C4=NC5=C (N4) C=C (C=C5) N

Molecular Formula

C20H16N6

Molecular Weight

340.4 g/mol

Controlled

Chemical Information

2-[2-(6-amino-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-amine

CAS Number	313666-93-2
PubChem CID	767318
IUPAC Name	2-[2-(6-amino-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-amine
Molecular Formula	C20H16N6
Molecular Weight	340.4
XLogP	3
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	457

SMILES

C1=CC=C(C(=C1)C2=NC3=C(N2)C=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)N

InChI

InChI=1S/C20H16N6/c21-11-5-7-15-17(9-11)25-19(23-15)13-3-1-2-4-14(13)20-24-16-8-6-12(22)10-18(16)26-20/h1-10H,21-22H2,(H,23,25)(H,24,26)

InChIKey

ZJSIITUXTQETKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 313666-93-2

CID: 767318

Formula: C20H16N6

MW: 340.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	340.14364454
Monoisotopic Mass	340.14364454
Topological Polar Surface Area	109 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	457
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