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Chemical ID: 7445543
Chemical ID:
7445543
Name [?]:
9-methyl-3-[(2-methyl-3H-imidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
SMILES [?]:
Cc1[nH+]ccn1CC2CCc3c(c4ccccc4n3C)C2=O
InChi [?]:
InChI=1/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,20,15,16,14,17,9,10,4,5,7,2,8,13,18,11,12,21,3,19,6,22/rA:22cCCN+CCNCCCCCCCCCCCCNCCO/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s19;s8s12;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N3O+ |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -20.9574 |
Area: | 467.767 |
Solvation: | -32.6516 |
Coulombic: | -14.6117 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 294.371 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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