Products for Research Use Only
RegisterLogin

BPH-1358

CAT: 0127-BUP12065-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP12065-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
5352-53-4
Synonyms
NSC50460
Purity
=98%
Smiles
O=C(C1=CC=C(C2=CC=C(C(NC3=CC=CC(C4=NCCN4)=C3)=O)C=C2)C=C1)NC5=CC=CC(C6=NCCN6)=C5.[H]Cl.[H]Cl

Chemical Information

N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl]phenyl]benzamide;dihydrochloride
CAS Number5352-53-4
PubChem CID139600276
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl]phenyl]benzamide;dihydrochloride
Molecular FormulaC32H30Cl2N6O2
Molecular Weight601.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity873
SMILES
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)C6=NCCN6.Cl.Cl
InChI
InChI=1S/C32H28N6O2.2ClH/c39-31(37-27-5-1-3-25(19-27)29-33-15-16-34-29)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32(40)38-28-6-2-4-26(20-28)30-35-17-18-36-30;;/h1-14,19-20H,15-18H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40);2*1H
InChIKey
ASVCJNSPDDRTOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl]phenyl]benzamide;dihydrochloride
CAS: 5352-53-4
CID: 139600276
Formula: C32H30Cl2N6O2
MW: 601.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight601.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass600.1807296
Monoisotopic Mass600.1807296
Topological Polar Surface Area107 Ų
Heavy Atom Count42
Formal Charge0
Complexity873
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP01283-01BPH-715
BUP12189-01BPHA
BUP08809-01AZ-1355
BUP08107-01CNX-1351
BUP15389-01PF-1355
BUP08548-01BIP-135
BUP02393-01AES-135
BUP11895-01VY-3-135
OR1023417Fluorescent Brightener 135
BUP21750DMA-135 hydrochloride

Alternative Products

CatalogName
T10586L-01BPH-1358
HY-118946BBPH-1358 (mesylate)
MBS5814925BPH-1358 mesylate
GTR19206400-01BPH-1358 free base
HY-118946ABPH-1358 (free base)
PH2006015-01PathoScope 1358 Panel
BA2136-10BPH-715
HY-113869BPH-628
T30570-01BPH-830
T30567-01BPH-675

Popular Products