Chemical ID: 4672148

COc1ccc(cc1)C(=O)Cn2c3ccccc3n(c2=N)CCN4CCCCC4
Chemical ID:
4672148
Name [?]:
2-[2-imino-3-[2-(1-piperidyl)ethyl]benzoimidazol-1-yl]-1-(4-methoxyphenyl)-ethanone
SMILES [?]:
COc1ccc(cc1)C(=O)Cn2c3ccccc3n(c2=N)CCN4CCCCC4
InChi [?]:
InChI=1/C23H28N4O2/c1-29-19-11-9-18(10-12-19)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:1,27,16,15,26,28,17,14,5,7,4,8,25,29,23,22,11,6,3,18,13,9,20,21,24,19,12,10,2/E:(5,6)(9,10)(11,12)(13,14)/rA:29nCOCCCCCCCOCNCCCCCCNCNCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;w20;s19;s22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.3137
Area:630.097
Solvation:-5.43876
Coulombic:-45.3804
Bond Count [?]
All:32
Single:24
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:392.494
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.71
LogP (Chemaxon):4.23

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Descriptor Annotations

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