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Chemical ID: 4672148
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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