Chemical ID: 4702631

Cc1c(n(ccc1=O)CCc2c[nH]cn2)C
Chemical ID:
4702631
Name [?]:
1-[2-(1H-imidazol-4-yl)ethyl]-2,3-dimethyl-pyridin-4-one
SMILES [?]:
Cc1c(n(ccc1=O)CCc2c[nH]cn2)C
InChi [?]:
InChI=1/C12H15N3O/c1-9-10(2)15(6-4-12(9)16)5-3-11-7-13-8-14-11/h4,6-8H,3,5H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,16,10,6,9,5,12,14,2,3,11,7,13,15,4,8/rA:16nCCCNCCCOCCCCNCNC/rB:s1;d2;s3;s4;d5;s2s6;d7;s4;s9;s10;d11;s12;s13;s11d14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.30809
Area:399.755
Solvation:-2.68579
Coulombic:-28.0143
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:217.267
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.25
LogP (Chemaxon):1.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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