Chemical ID: 4600357

CC1(C(N(C(=O)N1C)c2cccc3c2cccc3)n4cncn4)C
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

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Descriptor Annotations

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