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Chemical ID: 6764373

COc1ccccc1OCc2ccc(cc2)C(=O)Nc3[nH+]c4ccccc4n3CC[NH+]5CCCCC5

Chemical ID:

6764373

Name [?]:

4-[(2-methoxyphenoxy)methyl]-N-[1-[2-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl]-3H-benzoimidazol-2-yl]-benzamide

SMILES [?]:

COc1ccccc1OCc2ccc(cc2)C(=O)Nc3[nH+]c4ccccc4n3CC[NH+]5CCCCC5

InChi [?]:

InChI=1/C29H32N4O3/c1-35-26-11-5-6-12-27(26)36-21-22-13-15-23(16-14-22)28(34)31-29-30-24-9-3-4-10-25(24)33(29)20-19-32-17-7-2-8-18-32/h3-6,9-16H,2,7-8,17-21H2,1H3,(H,30,31,34)/p+2

InChi Info:

AuxInfo=1/1/N:1,34,24,25,5,6,33,35,23,26,4,7,12,16,13,15,32,36,30,29,10,11,14,22,27,3,8,17,20,21,19,31,28,18,2,9/E:(7,8)(13,14)(15,16)(17,18)/rA:36nCOCCCCCCOCCCCCCCCONCN+CCCCCCNCCN+CCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;d20;s21;s22;d23;s24;d25;d22s26;s20s27;s28;s29;s30;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₄N₄O₃₊₂
All Atoms:	70
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	-70.3271
Area:	759.029
Solvation:	-89.3029
Coulombic:	14.4609

Bond Count [?]

All:	40
Single:	29
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	486.605
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.19
LogP (Chemaxon):	5.73

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value