Chemical ID: 7001042

CCc1nc2ccccc2n1Cc3ccc(cc3)Cl
Chemical ID:
7001042
Name [?]:
1-[(4-chlorophenyl)methyl]-2-ethyl-benzoimidazole
SMILES [?]:
CCc1nc2ccccc2n1Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H15ClN2/c1-2-16-18-14-5-3-4-6-15(14)19(16)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,6,9,14,18,15,17,12,13,16,5,10,3,19,4,11/E:(7,8)(9,10)/rA:19nCCCNCCCCCCNCCCCCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN2
All Atoms:34
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.65087
Area:455.148
Solvation:-1.72783
Coulombic:-14.2487
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.756
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.44
LogP (Chemaxon):5.0

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Descriptor Annotations

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