Chemical ID: 6131214

c1ccc(cc1)Cn2c3ccccc3nc2CCCNC(=O)c4ccc(cc4)Cl
Chemical ID:
6131214
Name [?]:
N-[3-(1-benzylbenzoimidazol-2-yl)propyl]-4-chloro-benzamide
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3nc2CCCNC(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C24H22ClN3O/c25-20-14-12-19(13-15-20)24(29)26-16-6-11-23-27-21-9-4-5-10-22(21)28(23)17-18-7-2-1-3-8-18/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,18,3,5,13,10,17,24,28,25,27,19,7,4,23,26,14,9,16,21,29,20,15,8,22/E:(2,3)(7,8)(12,13)(14,15)/rA:29nCCCCCCCNCCCCCCNCCCCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s16;s17;s18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22ClN3O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2076
Area:653.794
Solvation:-3.13728
Coulombic:-36.9103
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:403.904
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.59
LogP (Chemaxon):5.46

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Descriptor Annotations

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