ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 4955735

Chemical ID:

4955735

Name [?]:

2-(m-tolylmethyl)-1H-benzoimidazole

SMILES [?]:

Cc1cccc(c1)Cc2[nH]c3ccccc3n2

InChi [?]:

InChI=1/C15H14N2/c1-11-5-4-6-12(9-11)10-15-16-13-7-2-3-8-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,13,14,4,3,5,12,15,7,8,2,6,11,16,9,10,17/E:(2,3)(7,8)(13,14)(16,17)/rA:17nCCCCCCCCCNCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;d9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄N₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.62309
Area:	411.669
Solvation:	-1.66865
Coulombic:	-18.3736

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	222.285
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	3.52
LogP (Chemaxon):	4.14

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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