Chemical ID: 7245708

Cc1csc(n1)Cc2nc3ccccc3n2C
Chemical ID:
7245708
Name [?]:
1-methyl-2-[(4-methylthiazol-2-yl)methyl]benzoimidazole
SMILES [?]:
Cc1csc(n1)Cc2nc3ccccc3n2C
InChi [?]:
InChI=1/C13H13N3S/c1-9-8-17-13(14-9)7-12-15-10-5-3-4-6-11(10)16(12)2/h3-6,8H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,12,13,11,14,7,3,2,10,15,8,5,6,9,16,4/rA:17nCCCSCNCCNCCCCCCNC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N3S
All Atoms:30
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.26902
Area:418.032
Solvation:-2.18177
Coulombic:-16.4132
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:243.329
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.14
LogP (Chemaxon):2.95

Name Annotations

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Descriptor Annotations

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