Chemical ID: 6710033

CC(c1[nH]c2ccccc2[nH+]1)O
Chemical ID:
6710033
Name [?]:
1-(1,3-dihydrobenzoimidazol-2-yl)ethanol
SMILES [?]:
CC(c1[nH]c2ccccc2[nH+]1)O
InChi [?]:
InChI=1/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)/p+1
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,2,5,10,3,4,11,12/E:(2,3)(4,5)(7,8)(10,11)/rA:12cCCCNCCCCCCN+O/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;d3s10;s2;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N2O+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:-21.648
Area:322.738
Solvation:-29.7164
Coulombic:-26.9762
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:163.197
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.2
LogP (Chemaxon):1.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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