Chemical ID: 4626121

CCCn1c2ccccc2n(c1=N)CC(=O)c3ccco3
Chemical ID:
4626121
Name [?]:
1-(2-furyl)-2-(2-imino-3-propyl-benzoimidazol-1-yl)-ethanone
SMILES [?]:
CCCn1c2ccccc2n(c1=N)CC(=O)c3ccco3
InChi [?]:
InChI=1/C16H17N3O2/c1-2-9-18-12-6-3-4-7-13(12)19(16(18)17)11-14(20)15-8-5-10-21-15/h3-8,10,17H,2,9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,19,6,9,18,3,20,14,5,10,15,17,12,13,4,11,16,21/rA:21nCCCNCCCCCCNCNCCOCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s11;s14;d15;s15;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.43781
Area:484.771
Solvation:-3.68147
Coulombic:-41.2605
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:283.325
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.56
LogP (Chemaxon):3.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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