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Chemical ID: 7133744
Chemical ID:
7133744
Name [?]:
N-[3-[1-(o-tolylmethyl)benzoimidazol-2-yl]propyl]formamide
SMILES [?]:
Cc1ccccc1Cn2c3ccccc3nc2CCCNC=O
InChi [?]:
InChI=1/C19H21N3O/c1-15-7-2-3-8-16(15)13-22-18-10-5-4-9-17(18)21-19(22)11-6-12-20-14-23/h2-5,7-10,14H,6,11-13H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,4,5,13,12,19,3,6,14,11,18,20,8,22,2,7,15,10,17,21,16,9,23/rA:23nCCCCCCCCNCCCCCCNCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s9d16;s17;s18;s19;s20;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O |
All Atoms: | 44 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1707 |
Area: | 535.348 |
Solvation: | -3.21301 |
Coulombic: | -32.9251 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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