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GSK9311 50mg

CAT: 0628-A12453-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A12453-50Size:50 mg
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CAS Number
1923851-49-3

Chemical Information

N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-N-Ethyl-2-Methoxy-Benzamide
CAS Number1923851-49-3
PubChem CID121232406
IUPAC NameN-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxobenzimidazol-5-yl]-N-ethyl-2-methoxybenzamide
Molecular FormulaC24H31N5O3
Molecular Weight437.5
XLogP2.2
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity691
SMILES
CCN(C1=C(C=C2C(=C1)N(C(=O)N2C)C)N3CCNC[C@H]3C)C(=O)C4=CC=CC=C4OC
InChI
InChI=1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1
InChIKey
WFXIHQFRQPGCCR-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-N-Ethyl-2-Methoxy-Benzamide
CAS: 1923851-49-3
CID: 121232406
Formula: C24H31N5O3
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass437.24268987
Monoisotopic Mass437.24268987
Topological Polar Surface Area68.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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