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Chemical ID: 5082484

Chemical ID:

5082484

Name [?]:

2-pyrrolidin-1-ylsulfanyl-1H-benzoimidazole

SMILES [?]:

c1ccc2c(c1)[nH]c(n2)SN3CCCC3

InChi [?]:

InChI=1/C11H13N3S/c1-2-6-10-9(5-1)12-11(13-10)15-14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,12,13)

InChi Info:

AuxInfo=1/1/N:1,2,13,14,6,3,12,15,5,4,8,7,9,11,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)/rA:15nCCCCCCNCNSNCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₃N₃S
All Atoms:	15
Heavy Atoms:	15
Chiral Atoms:	0

ZAP Information [?]

Total:	8.12815
Area:	386.733
Solvation:	-1.54017
Coulombic:	-21.8166

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	219.307
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	2.14
LogP (Chemaxon):	2.74

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