Chemical ID: 4084784

CC(=O)c1nc2ccccc2n1C
Chemical ID:
4084784
Name [?]:
1-(1-methylbenzoimidazol-2-yl)ethanone
SMILES [?]:
CC(=O)c1nc2ccccc2n1C
InChi [?]:
InChI=1/C10H10N2O/c1-7(13)10-11-8-5-3-4-6-9(8)12(10)2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,8,9,7,10,2,6,11,4,5,12,3/rA:13nCCOCNCCCCCCNC/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.67334
Area:335.653
Solvation:-1.71799
Coulombic:-21.6487
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:174.199
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.47
LogP (Chemaxon):1.61

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue