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Chemical ID: 7185492
Chemical ID:
7185492
Name [?]:
1-[(4-chlorophenyl)methyl]-2-pentyl-3H-benzoimidazole
SMILES [?]:
CCCCCc1[nH+]c2ccccc2n1Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H21ClN2/c1-2-3-4-9-19-21-17-7-5-6-8-18(17)22(19)14-15-10-12-16(20)13-11-15/h5-8,10-13H,2-4,9,14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,3,4,10,11,9,12,5,17,21,18,20,15,16,19,8,13,6,22,7,14/E:(10,11)(12,13)/rA:22nCCCCCCN+CCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClN2+ |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -17.2114 |
Area: | 535.289 |
Solvation: | -30.5936 |
Coulombic: | -6.66183 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 313.844 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.3 |
LogP (Chemaxon): | 6.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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