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Chemical ID: 4675368
Chemical ID:
4675368
Name [?]:
1-(2-methoxyethyl)-3-[2-(1-piperidyl)ethyl]benzoimidazol-2-imine
SMILES [?]:
COCCn1c2ccccc2n(c1=N)CCN3CCCCC3
InChi [?]:
InChI=1/C17H26N4O/c1-22-14-13-21-16-8-4-3-7-15(16)20(17(21)18)12-11-19-9-5-2-6-10-19/h3-4,7-8,18H,2,5-6,9-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,9,8,19,21,10,7,18,22,16,15,4,3,11,6,13,14,17,12,5,2/E:(5,6)(9,10)/rA:22nCOCCNCCCCCCNCNCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;w13;s12;s15;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N4O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67801 |
Area: | 523.867 |
Solvation: | -3.41867 |
Coulombic: | -38.9594 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.415 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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