Chemical ID: 4671824

c1ccc2c(c1)n(c(=N)n2CC(=O)c3ccc(cc3)Cl)CCN4CCCCC4
Chemical ID:
4671824
Name [?]:
1-(4-chlorophenyl)-2-[2-imino-3-[2-(1-piperidyl)ethyl]benzoimidazol-1-yl]-ethanone
SMILES [?]:
c1ccc2c(c1)n(c(=N)n2CC(=O)c3ccc(cc3)Cl)CCN4CCCCC4
InChi [?]:
InChI=1/C22H25ClN4O/c23-18-10-8-17(9-11-18)21(28)16-27-20-7-3-2-6-19(20)26(22(27)24)15-14-25-12-4-1-5-13-25/h2-3,6-11,24H,1,4-5,12-16H2
InChi Info:
AuxInfo=1/0/N:26,1,2,25,27,6,3,15,19,16,18,24,28,22,21,11,14,17,5,4,12,8,20,9,23,7,10,13/E:(4,5)(8,9)(10,11)(12,13)/rA:28nCCCCCCNCNNCCOCCCCCCClCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;w8;s4s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s7;s21;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25ClN4O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5282
Area:628.079
Solvation:-4.17377
Coulombic:-39.2075
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:396.913
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.42
LogP (Chemaxon):5.0

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Descriptor Annotations

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