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Chemical ID: 7409421

CC(=O)N1CCN(CC1)Cc2nc3cc(ccc3n2C)NC(=O)c4ccccc4

Chemical ID:

7409421

Name [?]:

N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-benzoimidazol-5-yl]benzamide

SMILES [?]:

CC(=O)N1CCN(CC1)Cc2nc3cc(ccc3n2C)NC(=O)c4ccccc4

InChi [?]:

InChI=1/C22H25N5O2/c1-16(28)27-12-10-26(11-13-27)15-21-24-19-14-18(8-9-20(19)25(21)2)23-22(29)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,29)

InChi Info:

AuxInfo=1/1/N:1,20,27,26,28,25,29,16,17,6,8,5,9,14,10,2,24,15,13,18,11,22,21,12,19,7,4,3,23/E:(4,5)(6,7)(10,11)(12,13)/rA:29nCCONCCNCCCCNCCCCCCNCNCOCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s19;s15;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅N₅O₂
All Atoms:	54
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.833
Area:	617.322
Solvation:	-4.60008
Coulombic:	-52.7349

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	391.466
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.79
LogP (Chemaxon):	2.1

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