Chemical ID: 4393588

CCCCc1nc2ccccc2n1Cc3ccccc3Cl
Chemical ID:
4393588
Name [?]:
2-butyl-1-[(2-chlorophenyl)methyl]benzoimidazole
SMILES [?]:
CCCCc1nc2ccccc2n1Cc3ccccc3Cl
InChi [?]:
InChI=1/C18H19ClN2/c1-2-3-12-18-20-16-10-6-7-11-17(16)21(18)13-14-8-4-5-9-15(14)19/h4-11H,2-3,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,17,18,9,10,16,19,8,11,4,14,15,20,7,12,5,21,6,13/rA:21nCCCCCNCCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5219
Area:483.753
Solvation:-1.57188
Coulombic:-15.2282
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.81
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.58
LogP (Chemaxon):5.79

Name Annotations

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Descriptor Annotations

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