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Chemical ID: 7131868
Chemical ID:
7131868
Name [?]:
2-cyclopropyl-1,3-dihydrobenzoimidazole
SMILES [?]:
c1ccc2c(c1)[nH]c([nH+]2)C3CC3
InChi [?]:
InChI=1/C10H10N2/c1-2-4-9-8(3-1)11-10(12-9)7-5-6-7/h1-4,7H,5-6H2,(H,11,12)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,12,10,5,4,8,7,9/E:(1,2)(3,4)(5,6)(8,9)(11,12)/rA:12nCCCCCCNCN+CCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s10s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N2+ |
All Atoms: | 23 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.7132 |
Area: | 321.372 |
Solvation: | -29.7475 |
Coulombic: | -8.24335 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 159.208 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.92 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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