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Chemical ID: 4238520

COc1ccc(cc1OC)CC(=O)Nc2cccc(c2)c3[nH]c4ccccc4n3

Chemical ID:

4238520

Name [?]:

N-[3-(1H-benzoimidazol-2-yl)phenyl]-2-(3,4-dimethoxyphenyl)-acetamide

SMILES [?]:

COc1ccc(cc1OC)CC(=O)Nc2cccc(c2)c3[nH]c4ccccc4n3

InChi [?]:

InChI=1/C23H21N3O3/c1-28-20-11-10-15(12-21(20)29-2)13-22(27)24-17-7-5-6-16(14-17)23-25-18-8-3-4-9-19(18)26-23/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,10,25,26,17,18,16,24,27,5,4,7,11,20,6,19,15,23,28,3,8,12,21,14,22,29,13,2,9/E:(3,4)(8,9)(18,19)(25,26)/rA:29nCOCCCCCCOCCCONCCCCCCCNCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s23;d24;s25;d26;d23s27;d21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁N₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	8.55166
Area:	617.729
Solvation:	-6.89156
Coulombic:	-51.3412

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	387.431
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.61
LogP (Chemaxon):	4.5

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value