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Chemical ID: 4305296
Chemical ID:
4305296
Name [?]:
2-[3-(2-diethylaminoethyl)-2-imino-benzoimidazol-1-yl]-1-phenyl-ethanone
SMILES [?]:
CCN(CC)CCn1c2ccccc2n(c1=N)CC(=O)c3ccccc3
InChi [?]:
InChI=1/C21H26N4O/c1-3-23(4-2)14-15-24-18-12-8-9-13-19(18)25(21(24)22)16-20(26)17-10-6-5-7-11-17/h5-13,22H,3-4,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,24,23,25,11,12,22,26,10,13,6,7,18,21,9,14,19,16,17,3,8,15,20/E:(1,2)(3,4)(6,7)(10,11)/rA:26nCCNCCCCNCCCCCCNCNCCOCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;w16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N4O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8311 |
Area: | 590.065 |
Solvation: | -3.9205 |
Coulombic: | -39.5254 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.457 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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