Chemical ID: 5236656

C1CCC2C(C1)NC(=N2)CCl
Chemical ID:
5236656
Name [?]:
2-(chloromethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzoimidazole
SMILES [?]:
C1CCC2C(C1)NC(=N2)CCl
InChi [?]:
InChI=1/C8H13ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h6-7H,1-5H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,5,4,8,11,7,9/E:(1,2)(3,4)(6,7)(10,11)/rA:11cCCCCCCNCNCCl/rB:s1;s2;s3;s4;s1s5;s5;s7;s4d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13ClN2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:2
ZAP Information [?]
Total:6.48801
Area:322.629
Solvation:-1.57771
Coulombic:-17.4273
Bond Count [?]
All:12
Single:11
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:172.655
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.57
LogP (Chemaxon):1.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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