Chemical ID: 4506896

Cc1ccc(cc1)C(=O)Cn2c3ccccc3n(c2=N)CCN4CCCCC4
Chemical ID:
4506896
Name [?]:
2-[2-imino-3-[2-(1-piperidyl)ethyl]benzoimidazol-1-yl]-1-(p-tolyl)ethanone
SMILES [?]:
Cc1ccc(cc1)C(=O)Cn2c3ccccc3n(c2=N)CCN4CCCCC4
InChi [?]:
InChI=1/C23H28N4O/c1-18-9-11-19(12-10-18)22(28)17-27-21-8-4-3-7-20(21)26(23(27)24)16-15-25-13-5-2-6-14-25/h3-4,7-12,24H,2,5-6,13-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,15,14,25,27,16,13,3,7,4,6,24,28,22,21,10,2,5,17,12,8,19,20,23,18,11,9/E:(5,6)(9,10)(11,12)(13,14)/rA:28nCCCCCCCCOCNCCCCCCNCNCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;w19;s18;s21;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N4O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3073
Area:616.336
Solvation:-4.10107
Coulombic:-39.0835
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:376.495
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.23
LogP (Chemaxon):4.95

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Descriptor Annotations

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