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Chemical ID: 4627350

Chemical ID:

4627350

Name [?]:

2-(3-ethyl-2-imino-benzoimidazol-1-yl)-1-(4-methoxyphenyl)-ethanone

SMILES [?]:

CCn1c2ccccc2n(c1=N)CC(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C18H19N3O2/c1-3-20-15-6-4-5-7-16(15)21(18(20)19)12-17(22)13-8-10-14(23-2)11-9-13/h4-11,19H,3,12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,23,2,6,7,5,8,17,21,18,20,13,16,19,4,9,14,11,12,3,10,15,22/E:(8,9)(10,11)/rA:23nCCNCCCCCCNCNCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉N₃O₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.88434
Area:	515.245
Solvation:	-4.99678
Coulombic:	-40.1293

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	309.362
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.42
LogP (Chemaxon):	3.87

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value