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Chemical ID: 4472916

Chemical ID:

4472916

Name [?]:

2-methyl-N-[3-(1-phenethylbenzoimidazol-2-yl)propyl]propanamide

SMILES [?]:

CC(C)C(=O)NCCCc1nc2ccccc2n1CCc3ccccc3

InChi [?]:

InChI=1/C22H27N3O/c1-17(2)22(26)23-15-8-13-21-24-19-11-6-7-12-20(19)25(21)16-14-18-9-4-3-5-10-18/h3-7,9-12,17H,8,13-16H2,1-2H3,(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,3,24,23,25,14,15,8,22,26,13,16,9,20,7,19,2,21,12,17,10,4,6,11,18,5/E:(1,2)(4,5)(9,10)/rA:26nCCCCONCCCCNCCCCCCNCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇N₃O
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2202
Area:	604.734
Solvation:	-2.89817
Coulombic:	-34.6234

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	349.469
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.96
LogP (Chemaxon):	4.65

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