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Chemical ID: 6408950

c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3[nH]c4ccc(cc4n3)C(=O)c5ccccc5

Chemical ID:

6408950

Name [?]:

N-[4-(5-benzoyl-1H-benzoimidazol-2-yl)phenyl]-2-phenyl-acetamide

SMILES [?]:

c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3[nH]c4ccc(cc4n3)C(=O)c5ccccc5

InChi [?]:

InChI=1/C28H21N3O2/c32-26(17-19-7-3-1-4-8-19)29-23-14-11-21(12-15-23)28-30-24-16-13-22(18-25(24)31-28)27(33)20-9-5-2-6-10-20/h1-16,18H,17H2,(H,29,32)(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,31,2,6,30,32,3,5,29,33,13,15,21,12,16,20,7,23,4,28,14,22,11,19,24,8,26,17,10,18,25,9,27/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:33nCCCCCCCCONCCCCCCCNCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;d20;s21;d22;d19s23;d17s24;s22;d26;s26;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₁N₃O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8044
Area:	681.889
Solvation:	-4.24281
Coulombic:	-48.6622

Bond Count [?]

All:	37
Single:	22
Double:	15
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	431.485
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.61
LogP (Chemaxon):	6.23

Name Annotations

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

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