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Chemical ID: 4600357
Chemical ID:
4600357
Name [?]:
3,4,4-trimethyl-1-(1-naphthyl)-5-(1,2,4-triazol-1-yl)imidazolidin-2-one
SMILES [?]:
CC1(C(N(C(=O)N1C)c2cccc3c2cccc3)n4cncn4)C
InChi [?]:
InChI=1/C18H19N5O/c1-18(2)16(22-12-19-11-20-22)23(17(24)21(18)3)15-10-6-8-13-7-4-5-9-14(13)15/h4-12,16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,8,17,16,11,18,12,15,10,22,20,13,14,9,3,5,2,21,23,7,19,4,6/E:(1,2)/rA:24cCCCNCONCCCCCCCCCCCNCNCNC/rB:s1;s2;s3;s4;d5;s2s5;s7;s4;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s3;s19;d20;s21;s19d22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N5O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.7319 |
Area: | 489.421 |
Solvation: | -3.50362 |
Coulombic: | -37.0691 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 321.377 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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