Chemical ID: 4675368

COCCn1c2ccccc2n(c1=N)CCN3CCCCC3
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

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Descriptor Annotations

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