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Chemical ID: 4564754

Chemical ID:

4564754

Name [?]:

N-[5-(1H-benzoimidazol-2-yl)pentyl]benzamide

SMILES [?]:

c1ccc(cc1)C(=O)NCCCCCc2[nH]c3ccccc3n2

InChi [?]:

InChI=1/C19H21N3O/c23-19(15-9-3-1-4-10-15)20-14-8-2-5-13-18-21-16-11-6-7-12-17(16)22-18/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,20,23)(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,12,2,6,13,19,20,11,3,5,18,21,14,10,4,17,22,15,7,9,16,23,8/E:(3,4)(6,7)(9,10)(11,12)(16,17)(21,22)/rA:23nCCCCCCCONCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;d15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁N₃O
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4935
Area:	561.369
Solvation:	-2.5407
Coulombic:	-40.669

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	307.39
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.67
LogP (Chemaxon):	3.71

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