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Chemical ID: 6654810

CCCCn1c2ccccc2[n+](c1N)CC(=O)c3ccc(cc3)OC

Chemical ID:

6654810

Name [?]:

2-(2-amino-3-butyl-benzoimidazol-1-yl)-1-(4-methoxyphenyl)-ethanone

SMILES [?]:

CCCCn1c2ccccc2[n+](c1N)CC(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C20H23N3O2/c1-3-4-13-22-17-7-5-6-8-18(17)23(20(22)21)14-19(24)15-9-11-16(25-2)12-10-15/h5-12,21H,3-4,13-14H2,1-2H3/p+1

InChi Info:

AuxInfo=1/5/N:1,25,2,3,8,9,7,10,19,23,20,22,4,15,18,21,6,11,16,13,14,5,12,17,24/E:(9,10)(11,12)/rA:25nCCCCNCCCCCCN+CNCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5d12;s13;s12;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₃O₂₊
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	-14.1538
Area:	568.517
Solvation:	-28.3667
Coulombic:	-24.4332

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	338.424
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	4.57
LogP (Chemaxon):	0.05

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value