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Chemical ID: 7413355

Chemical ID:

7413355

Name [?]:

1-phenyl-4-(1-piperidyl)-5H-imidazol-2-one

SMILES [?]:

c1ccc(cc1)N2CC(=NC2=O)N3CCCCC3

InChi [?]:

InChI=1/C14H17N3O/c18-14-15-13(16-9-5-2-6-10-16)11-17(14)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2

InChi Info:

AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,8,4,9,11,10,13,7,12/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCCCCCNCCNCONCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s7s10;d11;s9;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇N₃O
All Atoms:	35
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.75564
Area:	425.614
Solvation:	-1.88471
Coulombic:	-32.7254

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	243.304
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	1.85
LogP (Chemaxon):	2.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value