Chemical ID: 7094788

Cc1ccc2c(c1)nc([nH]2)c3ccc(cc3)NC(=O)CCC(=O)O
Chemical ID:
7094788
Name [?]:
4-[4-(5-methyl-1H-benzoimidazol-2-yl)phenyl]amino-4-oxo-butanoic acid
SMILES [?]:
Cc1ccc2c(c1)nc([nH]2)c3ccc(cc3)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C18H17N3O3/c1-11-2-7-14-15(10-11)21-18(20-14)12-3-5-13(6-4-12)19-16(22)8-9-17(23)24/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,12,16,13,15,4,20,21,7,2,11,14,5,6,18,22,9,17,10,8,19,23,24/E:(3,4)(5,6)(23,24)/rA:24nCCCCCCCNCNCCCCCCNCOCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O3
All Atoms:41
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.98396
Area:543.362
Solvation:-3.6001
Coulombic:-62.2766
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:323.346
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.33
LogP (Chemaxon):2.04

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